32#ifndef MADNESS_MRA_FUNCIMPL_H__INCLUDED
33#define MADNESS_MRA_FUNCIMPL_H__INCLUDED
58 template <
typename T, std::
size_t NDIM>
61 template<
typename T, std::
size_t NDIM>
64 template<
typename T, std::
size_t NDIM>
67 template<
typename T, std::
size_t NDIM>
70 template<
typename T, std::
size_t NDIM>
71 class FunctionFactory;
73 template<
typename T, std::
size_t NDIM, std::
size_t MDIM>
74 class CompositeFunctorInterface;
85 template<
typename keyT>
104 template <
typename keyT>
115 Level n = key.level();
116 if (n == 0)
return 0;
118 if (n <= 3 || (n&0x1)) hash = key.
hash();
135 template<
typename T, std::
size_t NDIM>
187 if (
this != &other) {
298 print(
"set_coeff: may have a problem");
299 print(
"set_coeff: coeff.dim[0] =", coeffs.
dim(0),
", 2* MAXK =", 2*
MAXK);
310 template <
typename Q>
359 }
else if (
coeff().dim(0) == cdata.
vk[0]) {
362 }
else if (
coeff().is_full_tensor()) {
368 }
else if (
coeff().is_svd_tensor()) {
384 template <
typename Q,
typename R>
425 if (
c.is_local(parent))
456 if (
c.is_local(parent))
474 return this->_coeffs.trace_conj((rhs.
_coeffs));
477 template <
typename Archive>
488 s <<
"\"has_coeff\":" << this->
has_coeff()
489 <<
",\"has_children\":" << this->
has_children() <<
",\"norm\":";
496 s <<
norm <<
",\"norm_tree\":" << nt <<
",\"snorm\":"
499 if (this->
coeff().is_assigned())
500 s <<
",\"dim\":" << this->
coeff().
dim(0);
505 template <
typename T, std::
size_t NDIM>
515 s <<
norm <<
", norm_tree = " << nt <<
", dnorm_tree = " << dnt <<
", s/dnorm =" << node.
get_snorm() <<
" " << node.
get_dnorm() <<
"), rank="<< node.
coeff().
rank()<<
")";
522 template<
typename T,
size_t NDIM>
549 if (key.
level()<2)
return false;
551 std::vector<Slice>
s0(
NDIM/2,s);
553 const double tol=
f->get_thresh();
554 const double thresh=
f->truncate_tol(tol, key)*0.3;
556 const double fnorm=fcoeff.
normf();
557 const double gnorm=gcoeff.
normf();
560 const double norm=fnorm*gnorm;
564 const double sfnorm=fcoeff(
s0).
normf();
565 const double sgnorm=gcoeff(
s0).
normf();
569 const double ferror=sqrt(
std::abs(fnorm*fnorm-sfnorm*sfnorm));
570 const double gerror=sqrt(
std::abs(gnorm*gnorm-sgnorm*sgnorm));
573 const double error=fnorm*gerror + ferror*gnorm + ferror*gerror;
579 template <
typename Archive>
void serialize (Archive& ar) {
586 template<
typename T,
size_t NDIM,
typename opT>
602 if (key.
level()<2)
return false;
603 const double cnorm=coeff.
normf();
609 if (key.
level()<2)
return false;
612 const opkeyT
source=
op->get_source_key(key);
615 const std::vector<opkeyT>& disp =
op->get_disp(key.
level());
616 const opkeyT&
d = *disp.begin();
618 const double norm=opnorm*cnorm;
623 template <
typename Archive>
void serialize (Archive& ar) {
632 template<
typename T,
size_t NDIM,
size_t LDIM,
typename opT>
664 if (key.
level()<2)
return false;
666 const double tol=
f->get_thresh();
667 const double thresh=
f->truncate_tol(tol, key);
669 const double fnorm=fcoeff.
normf();
670 const double gnorm=gcoeff.
normf();
673 const double sfnorm=fcoeff(
g->get_cdata().s0).
normf();
674 const double sgnorm=gcoeff(
g->get_cdata().s0).
normf();
677 const double norm=fnorm*gnorm;
681 const double ferror=sqrt(fnorm*fnorm-sfnorm*sfnorm);
682 const double gerror=sqrt(gnorm*gnorm-sgnorm*sgnorm);
685 const double error=fnorm*gerror + ferror*gnorm + ferror*gerror;
689 const std::vector<Key<NDIM> >& disp =
op->get_disp(key.
level());
691 const double opnorm =
op->norm(key.
level(),
d, key);
692 const double final_norm=opnorm*sfnorm*sgnorm;
693 if (final_norm <
thresh)
return true;
697 template <
typename Archive>
void serialize (Archive& ar) {
702 template<
typename T,
size_t NDIM>
709 template <
typename Archive>
void serialize (Archive& ar) {}
714 template<
typename T, std::
size_t NDIM>
729 template <
typename Archive>
void serialize (Archive& ar) {
738 template<
typename T, std::
size_t NDIM>
749 impl->get_coeffs().task(key, &nodeT::accumulate, coeff,
impl->get_coeffs(), key,
impl->get_tensor_args());
751 template <
typename Archive>
void serialize (Archive& ar) {
764 template<
typename T,
typename R>
766 template <
typename Archive>
void serialize (Archive& ar) {}
771 template<
typename T, std::
size_t NDIM>
780 dnorm(node.get_dnorm()) {}
789 template <
typename Archive>
813 template<
typename T,
size_t NDIM>
940 template <
typename Archive>
void serialize(
const Archive& ar) {
947 template<
typename T, std::
size_t NDIM>
969 template <
typename T, std::
size_t NDIM>
976 typedef std::shared_ptr< FunctionImpl<T,NDIM> >
pimplT;
983 typedef std::pair<const keyT,nodeT>
datumT;
1011 std::shared_ptr< FunctionFunctorInterface<T,NDIM> >
functor;
1033 return neighbor_halo_.load(std::memory_order_acquire) !=
nullptr;
1040 delete neighbor_halo_.exchange(
nullptr, std::memory_order_acq_rel);
1046 return h ?
h->size() : 0;
1056 if (
neighbor_halo_.compare_exchange_strong(
h, fresh, std::memory_order_acq_rel,
1057 std::memory_order_acquire))
1062 for (
const auto& kv : buf) {
1064 (void)
h->insert(acc, kv.first);
1065 acc->second = kv.second;
1072 if (!
h)
return false;
1074 if (
h->find(acc, key)) { out = acc->second;
return true; }
1090 ,
world(factory._world)
1092 ,
thresh(factory._thresh)
1115 bool do_refine = factory.
_refine;
1125 std::vector<coordT> functor_special_points=
functor->special_points();
1126 if (!functor_special_points.empty())
special_points.insert(
special_points.end(), functor_special_points.begin(), functor_special_points.end());
1132 if (it->second.is_leaf())
1153 template <
typename Q>
1167 template <
typename Q>
1201 const std::shared_ptr< WorldDCPmapInterface< Key<NDIM> > >&
get_pmap()
const;
1213 std::list<keyT> keys;
1221 currentmap->redistribute(
world,newmap);
1227 template <
typename Q>
1237 template<
typename Q>
1245 if (single_owner >= 0) {
1246 copy_remote_coeffs_from_pid<Q>(single_owner, other);
1251 copy_remote_coeffs_from_pid<Q>(pid, other);
1257 copy_remote_coeffs_from_pid<Q>(other.
get_pmap()->owner(
key0), other);
1263 template <
typename Q>
1270 auto v=other.
task(pid, &implQ::serialize_remote_coeffs);
1277 std::vector<unsigned char>
v;
1290 template <
typename Q>
1292 for (
const auto& [key, node] : other.
coeffs) {
1304 template<
typename Q,
typename R>
1324 template<
typename Q,
typename R>
1336 template<
typename Q,
typename R>
1353 const double beta,
const implT&
g,
const bool fence);
1356 template <
typename Q,
typename R>
1365 const keyT& key = it->first;
1368 f->coeffs.send(key, &nodeT:: template gaxpy_inplace<Q,R>,
alpha, other_node,
beta);
1371 template <
typename Archive>
1384 template <
typename Q,
typename R>
1397 template <
typename Archive>
1415 template <
typename Archive>
1455 std::shared_ptr<FunctionFunctorInterface<T,NDIM> >
get_functor();
1457 std::shared_ptr<FunctionFunctorInterface<T,NDIM> >
get_functor()
const;
1509 void truncate(
double tol,
bool fence);
1546 void print_tree(std::ostream& os = std::cout,
Level maxlevel = 10000)
const;
1579 double val2=log10(val) - log10(
lower());
1581 val2=0.7-(0.7/
upper)*val2;
1582 color= std::max(0.0,val2);
1583 color= std::min(0.7,color);
1585 double hue=0.7-(0.7/
limit)*(val);
1586 color= std::max(0.0,hue);
1613 const int xaxis,
const int yaxis,
const coordT el2);
1635 template<
size_t FDIM>
1636 typename std::enable_if<NDIM==FDIM>::type
1637 read_grid(
const std::string keyfile,
const std::string gridfile,
1640 std::ifstream kfile(keyfile.c_str());
1641 std::ifstream gfile(gridfile.c_str());
1645 if (not (std::getline(kfile,line)))
MADNESS_EXCEPTION(
"failed reading 1st line of key data",0);
1646 if (not (std::istringstream(line) >> ndata))
MADNESS_EXCEPTION(
"failed reading k",0);
1647 if (not (std::getline(gfile,line)))
MADNESS_EXCEPTION(
"failed reading 1st line of grid data",0);
1648 if (not (std::istringstream(line) >> ndata1))
MADNESS_EXCEPTION(
"failed reading k",0);
1650 if (not (std::getline(kfile,line)))
MADNESS_EXCEPTION(
"failed reading 2nd line of key data",0);
1651 if (not (std::getline(gfile,line)))
MADNESS_EXCEPTION(
"failed reading 2nd line of grid data",0);
1655 const size_t npt = qx.
dim(0);
1658 long npoints=power<NDIM>(npt);
1660 long nboxes=ndata/npoints;
1662 print(
"reading ",nboxes,
"boxes from file",gridfile,keyfile);
1668 std::string gline,kline;
1670 while (std::getline(kfile,kline)) {
1672 double x,y,z,x1,y1,z1,val;
1679 std::stringstream(kline) >> nn >> l1 >> l2 >> l3;
1687 const double h = std::pow(0.5,
double(n));
1694 for (
size_t i=0; i<npt; ++i) {
1695 c[0] =
cell(0,0) +
h*cell_width[0]*(l[0] + qx(i));
1696 for (
size_t j=0; j<npt; ++j) {
1697 c[1] =
cell(1,0) +
h*cell_width[1]*(l[1] + qx(j));
1698 for (
size_t k=0;
k<npt; ++
k) {
1699 c[2] =
cell(2,0) +
h*cell_width[2]*(l[2] + qx(
k));
1701 auto& success1 = std::getline(gfile,gline);
MADNESS_CHECK(success1);
1702 auto& success2 = std::getline(kfile,kline);
MADNESS_CHECK(success2);
1703 std::istringstream(gline) >> x >> y >> z >> val;
1704 std::istringstream(kline) >> x1 >> y1 >> z1;
1713 if (vnuc_functor) val-=(*vnuc_functor)(
c);
1723 const bool has_children=
false;
1725 nodeT node(coeff,has_children);
1742 template<
size_t FDIM>
1743 typename std::enable_if<NDIM==FDIM>::type
1747 std::ifstream gfile(gridfile.c_str());
1751 if (not (std::getline(gfile,line)))
MADNESS_EXCEPTION(
"failed reading 1st line of grid data",0);
1752 if (not (std::istringstream(line) >> ndata))
MADNESS_EXCEPTION(
"failed reading k",0);
1753 if (not (std::getline(gfile,line)))
MADNESS_EXCEPTION(
"failed reading 2nd line of grid data",0);
1757 const size_t npt = qx.
dim(0);
1760 long npoints=power<NDIM>(npt);
1762 long nboxes=ndata/npoints;
1764 print(
"reading ",nboxes,
"boxes from file",gridfile);
1772 while (std::getline(gfile,gline)) {
1774 double x1,y1,z1,val;
1781 std::stringstream(gline) >> nn >> l1 >> l2 >> l3;
1788 const double h = std::pow(0.5,
double(n));
1795 for (
int i=0; i<npt; ++i) {
1796 c[0] =
cell(0,0) +
h*cell_width[0]*(l[0] + qx(i));
1797 for (
int j=0; j<npt; ++j) {
1798 c[1] =
cell(1,0) +
h*cell_width[1]*(l[1] + qx(j));
1799 for (
int k=0;
k<npt; ++
k) {
1800 c[2] =
cell(2,0) +
h*cell_width[2]*(l[2] + qx(
k));
1802 auto& success = std::getline(gfile,gline);
1804 std::istringstream(gline) >> x1 >> y1 >> z1 >> val;
1810 if (vnuc_functor) val-=(*vnuc_functor)(
c);
1820 const bool has_children=
false;
1822 nodeT node(coeff,has_children);
1899 const coeffT& coeff)
const;
1905 template <
typename Q>
1921 template <
typename Q>
1923 const bool s_only)
const {
1957 template <
typename Q>
1975 for (std::size_t
d=0;
d<
NDIM; ++
d) {
2006 template <
typename Q>
2031 template <
typename Q>
2038 template <
typename Q>
2045 template <
typename Q>
2059 template <
typename Q>
2066 MADNESS_EXCEPTION(
"FunctionImpl: fcube_for_mul: child-parent relationship bad?",0);
2070 for (std::size_t
d=0;
d<
NDIM; ++
d) {
2087 template <
typename Q>
2094 MADNESS_EXCEPTION(
"FunctionImpl: fcube_for_mul: child-parent relationship bad?",0);
2098 for (
size_t d=0;
d<
NDIM;
d++) {
2109 template <
typename L,
typename R>
2134 template<
typename R>
2136 const int npt,
const keyT& key)
const {
2143 c11(this->cdata.
s0)=c1;
2144 c22(this->cdata.
s0)=c2;
2156 return copy(result(this->cdata.
s0));
2161 template <
typename L,
typename R,
typename opT>
2172 op(key, tcube, lcube, rcube);
2184 template <
typename L,
typename R>
2194 const keyT& key = it->first;
2196 coeffs.
send(key, &nodeT:: template gaxpy_inplace<T,L>, 1.0, other_node,
alpha);
2202 const keyT& key = it->first;
2204 coeffs.
send(key, &nodeT:: template gaxpy_inplace<T,R>, 1.0, other_node,
beta);
2212 template <
typename opT>
2216 const keyT& parent = it->first;
2217 nodeT& node = it->second;
2233 template <
typename opT>
2237 const keyT& parent = it->first;
2238 nodeT& node = it->second;
2250 template<std::
size_t LDIM>
2265 coeffT g_values =
g->coeffs2values(key,g_coeff);
2268 const long rank=g_values.
rank();
2269 const long maxk=
f->get_k();
2275 tensorT result(maxk,maxk,maxk);
2277 for (
long i=0; i<rank; ++i) {
2281 double singular_value_i = g_values.
get_svdtensor().weights(i);
2282 result += (singular_value_i*c1);
2286 tensorT f_coeff =
f->values2coeffs(key1,result);
2295 template<std::
size_t LDIM>
2300 const keyT& key = it->first;
2308 woT::task(
p, &implT:: template dirac_convolution_op<LDIM>, key, node,
f);
2314 f->trickle_down(
true);
2324 template <
typename opT>
2334 template <
typename opT>
2359 const keyT& key = it->first;
2360 nodeT& node = it->second;
2365 const double error=
d.normf();
2371 template <
typename Archive>
void serialize(
const Archive& ar) {}
2384 nodeT& node = it->second;
2388 template <
typename Archive>
void serialize(
const Archive& ar) {}
2400 nodeT& node = it->second;
2404 template <
typename Archive>
void serialize(
const Archive& ar) {}
2419 nodeT& node = it->second;
2424 template <
typename Archive>
void serialize(
const Archive& ar) {}
2446 nodeT& node = it->second;
2450 template <
typename Archive>
void serialize(
const Archive& ar) {}
2466 if constexpr(
NDIM==6) {
2467 const keyT& key = it->first;
2468 const nodeT& fnode = it->second;
2476 std::vector<long> map(
NDIM);
2477 map[0]=3; map[1]=4; map[2]=5;
2478 map[3]=0; map[4]=1; map[5]=2;
2498 if (have_c1 and have_c2) {
2502 norm=(c1-c2).normf();
2503 }
else if (have_c1) {
2506 }
else if (have_c2) {
2526 template <
typename Archive>
void serialize(
const Archive& ar) {
2538 template<
typename Q,
typename R>
2550 const keyT& key = it->first;
2551 const nodeT& node = it->second;
2557 template <
typename Archive>
void serialize(
const Archive& ar) {
2567 template<
typename Q,
typename R>
2580 const keyT& key = it->first;
2581 const nodeT& fnode = it->second;
2587 nodeT& gnode=acc->second;
2597 template <
typename Archive>
void serialize(
const Archive& ar) {
2615 const keyT& key = it->first;
2616 const nodeT& node = it->second;
2627 template <
typename Archive>
void serialize(
const Archive& ar) {
2645 const keyT& key = it->first;
2646 const nodeT& node = it->second;
2651 for (std::size_t i=0; i<
NDIM; ++i) {
2658 std::vector<Slice> s(
___);
2661 for (
size_t i=0; i<
NDIM; ++i) {
2662 std::size_t
kmax=
c.dim(i);
2664 for (
size_t k=1;
k<
kmax;
k+=2) {
2677 template <
typename Archive>
void serialize(
const Archive& ar) {
2696 const keyT& key = it->first;
2697 const nodeT& node = it->second;
2705 for (std::size_t i=0; i<
NDIM; ++i) l1[
map[i]] = l[i];
2714 for (std::size_t i=0; i<
NDIM; ++i) {
2715 if (
mirror[i]==-1) l1[i]= lmax - l[i];
2721 std::vector<Slice> s(
___);
2724 for (
size_t i=0; i<
NDIM; ++i) {
2725 std::size_t
kmax=
c.dim(i);
2727 for (
size_t k=1;
k<
kmax;
k+=2) {
2741 template <
typename Archive>
void serialize(
const Archive& ar) {
2761 const keyT& key = it->first;
2762 const nodeT& fnode = it->second;
2770 nodeT& gnode=acc->second;
2779 template <
typename Archive>
void serialize(
const Archive& ar) {}
2799 nodeT& node = it->second;
2807 template <
typename Archive>
void serialize(
const Archive& ar) {}
2820 it->second.consolidate_buffer(
targs);
2823 template <
typename Archive>
void serialize(
const Archive& ar) {}
2828 template <
typename opT>
2835 const keyT& key = it->first;
2836 nodeT& node = it->second;
2852 template <
typename Archive>
void serialize(
const Archive& ar) {}
2855 template <
typename Q,
typename R>
2863 std::vector<unsigned int> ind(vleft.size());
2864 for (
unsigned int i=0; i<vleft.size(); ++i) {
2867 for (
unsigned int i=0; i<vleft.size(); ++i) {
2869 std::swap(ind[i],ind[j]);
2872 for (
const auto& [key, rnode] : right->coeffs) {
2873 if (rnode.has_coeff()) {
2878 for (
unsigned int j=0; j<vleft.size(); ++j) {
2879 unsigned int i = ind[j];
2881 implT* left = vleft[i].get();
2892 nodeT& node = acc->second;
2906 const std::vector<tensorT>&
c,
2913 template <
typename opT>
2915 std::vector<tensorT>
c(
v.size());
2916 for (
unsigned int i=0; i<
v.size(); i++) {
2919 c[i]=
cc.full_tensor();
2930 template <
typename opT>
2933 for (std::size_t i=1; i<
v.size(); ++i) {
2934 if (
v[i] and
v[i-1]) {
2940 const keyT& key = it->first;
2941 if (it->second.has_coeff())
2942 world.
taskq.
add(*
this, &implT:: template multiop_values_doit<opT>, key,
op,
v);
2955 template <
typename opT>
2957 const std::vector<implT*>& vin, std::vector<implT*>& vout) {
2958 std::vector<tensorT>
c(vin.size());
2959 for (
unsigned int i=0; i<vin.size(); i++) {
2962 c[i]=
cc.full_tensor();
2965 std::vector<tensorT> r =
op(key,
c);
2967 for (std::size_t i=0; i<vout.size(); ++i) {
2978 template <
typename opT>
2980 std::vector<implT*>& vout,
const bool fence=
true) {
2982 for (std::size_t i=1; i<vin.size(); ++i) {
2983 if (vin[i] and vin[i-1]) {
2989 const keyT& key = it->first;
2990 if (it->second.has_coeff())
2991 world.
taskq.
add(*
this, &implT:: template multi_to_multi_op_values_doit<opT>,
2992 key,
op, vin, vout);
2995 for (
implT* it2 : vout) {
3007 template <
typename Q,
typename R>
3013 for (
unsigned int j=0; j<vright.size(); ++j) {
3014 world.
taskq.
add(*
this, &implT:: template vtransform_doit<Q,R>, vright[j],
copy(
c(j,
_)), vleft, tol);
3022 template <
typename opT>
3042 template <
typename L,
typename R>
3052 double lnorm = 1e99;
3053 double ldnorm = 1e99;
3054 bool l_is_leaf =
false;
3058 if (lc.
size() == 0) {
3060 lnorm = lit->second.get_norm_tree();
3061 ldnorm = lit->second.get_dnorm_tree();
3062 l_is_leaf = !lit->second.has_children();
3071 std::vector<FunctionImpl<T,NDIM>*> vresult;
3072 std::vector<const FunctionImpl<R,NDIM>*> vright;
3073 std::vector< Tensor<R> > vrc;
3074 vresult.reserve(vrightin.size());
3075 vright.reserve(vrightin.size());
3076 vrc.reserve(vrightin.size());
3080 bool lc_shared_set =
false;
3081 auto left_coeffs = [&]() ->
const Tensor<L>& {
3082 if (!lc_shared_set) {
3083 lc_shared = lc.
size() ? lc : lit->second.coeff().full_tensor_copy();
3084 lc_shared_set =
true;
3089 for (
unsigned int i=0; i<vrightin.size(); ++i) {
3093 double rnorm, rdnorm;
3095 if (rc.
size() == 0) {
3097 rnorm = rit->second.get_norm_tree();
3098 rdnorm = rit->second.get_dnorm_tree();
3106 static std::atomic<bool> warned{
false};
3107 bool expected =
false;
3108 if (warned.compare_exchange_strong(expected,
true))
3109 print(
"WARNING: mul_sparse operand has an uncomputed dnorm_tree; "
3110 "screening is disabled for those nodes (missing make_redundant?)");
3114 if (rnorm*ldnorm + lnorm*rdnorm + ldnorm*rdnorm <=
truncate_tol(tol, key)) {
3116 Tensor<R> rc_data = (rc.
size() == 0) ? rit->second.coeff().full_tensor_copy() : rc;
3117 result->
task(
world.
rank(), &implT:: template do_mul<L,R>, key, left_coeffs(), std::make_pair(key,rc_data));
3121 vresult.push_back(result);
3122 vright.push_back(right);
3127 if (vresult.size()) {
3129 if (lc.
size() || l_is_leaf) {
3136 std::vector<char> r_unfiltered(vresult.size(), 0);
3137 std::vector< Tensor<R> > vrss(vresult.size());
3138 for (
unsigned int i=0; i<vresult.size(); ++i) {
3139 riterT rit = vright[i]->coeffs.find(key).get();
3140 if (vrc[i].
size() || !rit->second.has_children()) {
3142 rd(
cdata.s0) = (vrc[i].size() ? vrc[i] : rit->second.coeff().full_tensor_copy())(
___);
3143 vrss[i] = vright[i]->unfilter(rd);
3144 r_unfiltered[i] = 1;
3149 const keyT& child = kit.key();
3154 if (lc.
size() || l_is_leaf)
3157 std::vector< Tensor<R> > vv(vresult.size());
3158 for (
unsigned int i=0; i<vresult.size(); ++i) {
3159 if (r_unfiltered[i])
3160 vv[i] =
copy(vrss[i](cp));
3163 woT::task(
coeffs.
owner(child), &implT:: template mulXXveca<L,R>, child, left, ll, vright, vv, vresult, tol);
3177 template <
typename L,
typename R>
3185 double lnorm=1e99, rnorm=1e99;
3188 if (lc.
size() == 0) {
3191 lnorm = it->second.get_norm_tree();
3192 if (it->second.has_coeff())
3193 lc = it->second.coeff().reconstruct_tensor();
3197 if (rc.
size() == 0) {
3200 rnorm = it->second.get_norm_tree();
3201 if (it->second.has_coeff())
3202 rc = it->second.coeff().reconstruct_tensor();
3207 do_mul<L,R>(key, lc, std::make_pair(key,rc));
3240 const keyT& child = kit.key();
3248 woT::task(
coeffs.
owner(child), &implT:: template mulXXa<L,R>, child, left, ll, right, rr, tol);
3263 template <
typename L,
typename R,
typename opT>
3272 if (lc.
size() == 0) {
3275 if (it->second.has_coeff())
3276 lc = it->second.coeff().reconstruct_tensor();
3280 if (rc.
size() == 0) {
3283 if (it->second.has_coeff())
3284 rc = it->second.coeff().reconstruct_tensor();
3288 do_binary_op<L,R>(key, lc, std::make_pair(key,rc),
op);
3310 const keyT& child = kit.key();
3322 template <
typename Q,
typename opT>
3341 template <
typename Archive>
3355 template <
typename Q,
typename opT>
3360 const Tensor<Q> fc =
func->coeffs.find(key).get()->second.coeff().reconstruct_tensor();
3362 if (fc.
size() == 0) {
3366 const keyT& child = kit.key();
3380 template <
typename L,
typename R>
3394 template <
typename L,
typename R,
typename opT>
3396 const opT&
op,
bool fence) {
3408 template <
typename Q,
typename opT>
3421 template <
typename Q,
typename opT>
3437 template <
typename L,
typename R>
3443 std::vector< Tensor<R> > vr(vright.size());
3512 const coordT& plotlo,
const coordT& plothi,
const std::vector<long>& npt,
3513 bool eval_refine)
const;
3523 const std::vector<long>& npt,
3524 const bool eval_refine =
false)
const;
3540 Level maxlevel, std::pair<bool,T>* results);
3546 std::vector<std::pair<bool,T>>
3627 template<
size_t LDIM>
3654 double glo=0.0, ghi=0.0, flo=0.0, fhi=0.0;
3658 double total_hi=glo*fhi + ghi*flo + fhi*ghi;
3678 coeffT coeff1=
f.get_impl()->parent_to_child(
f.coeff(),
f.key(),key);
3686 bool is_leaf=
screen(coeff1_2D,coeff2,key);
3687 if (key.
level()<2) is_leaf=
false;
3693 coeffT hvalues=
f.get_impl()->coeffs2values(key,coeff1_2D);
3706 return std::pair<bool,coeffT> (is_leaf,hcoeff);
3730 template <
typename Archive>
void serialize(
const Archive& ar) {
3756 bool is_leaf=(
f.is_leaf() and
g.is_leaf());
3757 if (not is_leaf)
return std::pair<bool,coeffT> (is_leaf,
coeffT());
3759 coeffT fcoeff=
f.get_impl()->parent_to_child(
f.coeff(),
f.key(),key);
3760 coeffT gcoeff=
g.get_impl()->parent_to_child(
g.coeff(),
g.key(),key);
3763 hcoeff.
reduce_rank(
f.get_impl()->get_tensor_args().thresh);
3764 return std::pair<bool,coeffT> (is_leaf,hcoeff);
3784 template <
typename Archive>
void serialize(
const Archive& ar) {
3797 template<
size_t LDIM>
3804 coeff_opT coeff_op(
this,ff,gg,
particle);
3807 apply_opT apply_op(
this);
3812 woT::task(
p, &implT:: template forward_traverse<coeff_opT,apply_opT>, coeff_op, apply_op,
key0);
3819 template<
size_t LDIM,
typename leaf_opT>
3847 if (not is_leaf)
return std::pair<bool,coeffT> (is_leaf,
coeffT());
3857 return std::pair<bool,coeffT>(is_leaf,coeff);
3880 template <
typename Archive>
void serialize(
const Archive& ar) {
3891 template<
typename coeff_opT,
typename apply_opT>
3895 woT::task(
world.
rank(), &implT:: template traverse_tree<coeff_opT,apply_opT>, active_coeff, apply_op, key);
3905 template<
typename coeff_opT,
typename apply_opT>
3909 typedef typename std::pair<bool,coeffT> argT;
3910 const argT
arg=coeff_op(key);
3911 apply_op.operator()(key,
arg.second,
arg.first);
3913 const bool has_children=(not
arg.first);
3916 const keyT& child=kit.key();
3917 coeff_opT child_op=coeff_op.make_child(child);
3921 void (
implT::*ft)(
const coeff_opT&,
const apply_opT&,
const keyT&)
const = &implT::forward_traverse<coeff_opT,apply_opT>;
3935 template<std::
size_t LDIM,
typename leaf_opT>
3938 const leaf_opT&
leaf_op,
bool fence) {
3939 MADNESS_CHECK_THROW(p1.size()==p2.size(),
"hartree_product: p1 and p2 must have the same size");
3940 for (
auto&
p : p1)
MADNESS_CHECK(
p->is_nonstandard() or
p->is_nonstandard_with_leaves());
3941 for (
auto&
p : p2)
MADNESS_CHECK(
p->is_nonstandard() or
p->is_nonstandard_with_leaves());
3945 for (std::size_t i=0; i<p1.size(); ++i) {
3954 coeff_opT coeff_op(
this,iap1,iap2,
leaf_op);
3959 apply_opT apply_op(
this);
3962 coeff_op, apply_op,
cdata.key0);
3972 template <
typename opT,
typename R>
3977 const double cnorm =
c.normf();
3986 int maxdir = s ? 1 : -1;
3987 for (
int direction=-1; direction<=maxdir; direction+=2) {
3988 lnew[
axis] = lold + direction*s;
3989 if (lnew[
axis] >= 0 && lnew[
axis] < maxs) {
3991 double Rnorm = r.
normf();
3997 if (s <= 1 || r.
normf()*cnorm > tol) {
4001 if (result.
normf() > tol*0.3) {
4023 template <
typename opT,
typename R>
4030 fiterT end =
f->coeffs.end();
4032 for (fiterT it=
f->coeffs.begin(); it!=end; ++it) {
4033 const fnodeT& node = it->second;
4034 if (node.has_coeff()) {
4035 const keyT& key = it->first;
4036 const Tensor<R>&
c = node.coeff().full_tensor_copy();
4037 woT::task(
me, &implT:: template apply_1d_realspace_push_op<opT,R>,
4047 const std::pair<keyT,coeffT>& left,
4048 const std::pair<keyT,coeffT>& center,
4049 const std::pair<keyT,coeffT>& right);
4054 const std::pair<keyT,coeffT>& left,
4055 const std::pair<keyT,coeffT>& center,
4056 const std::pair<keyT,coeffT>& right);
4105 template<std::
size_t LDIM>
4131 bool use_tnorm=
false;
4136 tensorT val_rhs=fcf.coeffs2values(key, coeff_rhs);
4138 return fcf.values2coeffs(key,val_rhs);
4147 coeff1(
cdata.s0)=coeff_rhs;
4151 tensorT coeff_lhs_k1(cdata_npt.vk);
4156 val_lhs_k1.
emul(val_rhs_k1);
4163 result1(
cdata.s0)=0.0;
4173 const long k=coeff_rhs.
dim(0);
4187 coeff_rhs_npt1(fcf_lo.
cdata.s0)=coeff_rhs;
4201 val_lhs_npt.
emul(val_rhs);
4208 result1(
cdata.s0)=0.0;
4213 template <
typename Archive>
void serialize(
const Archive& ar) {
4226 template<
typename opT,
size_t LDIM>
4267 if(
leaf_op.do_pre_screening()){
4269 if(
leaf_op.pre_screening(key)){
4273 return std::pair<bool,coeffT> (
true,
coeffT());
4284 if(key.
level()<
int(il)){
4296 if(
leaf_op.post_screening(key,sum_coeff)){
4298 return std::pair<bool,coeffT> (
true,
coeffT());
4304 return std::pair<bool,coeffT> (
true,
coeffT());
4308 std::vector<bool> child_is_leaf(1<<
NDIM,
false);
4323 keyT child=kit.key();
4324 bool is_leaf=child_is_leaf[i];
4342 return std::pair<bool,coeffT> (
true,
coeffT());
4372 double dnorm_ket, snorm_ket;
4374 snorm_ket=
iaket.coeff(key).normf();
4375 dnorm_ket=
iaket.dnorm(key);
4382 dnorm_ket=s1*d2 + s2*d1 + d1*d2;
4388 error+=snorm*dnorm_ket + dnorm*snorm_ket + dnorm*dnorm_ket;
4393 error+=snorm*dnorm_ket + dnorm*snorm_ket + dnorm*dnorm_ket;
4397 double snorm=s_coeffs.
normf();
4400 double dnorm=
d.normf();
4401 error+=snorm*dnorm_ket + dnorm*snorm_ket + dnorm*dnorm_ket;
4433 double error=refine_error;
4461 return std::make_pair(cresult,
error);
4483 iaket1,iap11,iap21,iav11,iav21,
eri);
4487 const ctL& iap11,
const ctL& iap21,
const ctL& iav11,
const ctL& iav21,
4488 const implT* eri1) {
4493 template <
typename Archive>
void serialize(
const Archive& ar) {
4505 template<
typename opT>
4508 constexpr size_t LDIM=
NDIM/2;
4515 std::shared_ptr< FunctionFunctorInterface<T,NDIM> > func2(this->
get_functor());
4523 if (fence)
func->make_redundant(
true);
4527 for (
auto& ket :
func->impl_ket_vector) {
4536 for (std::size_t i=0; i<
func->impl_p1_vector.size(); ++i) {
4566 template<
typename opT, std::
size_t LDIM>
4571 const bool fence=
true) {
4582 coeff_opT coeff_op(
this,
leaf_op,iaket,iap1,iap2,iav1,iav2,eri);
4590 coeff_op, apply_op,
cdata.key0);
4599 void mapdim(
const implT&
f,
const std::vector<long>& map,
bool fence);
4609 const std::vector<long>&
mirror,
bool fence);
4642 auto& node=it->second;
4643 node.recompute_snorm_and_dnorm(
cdata);
4713 template <
typename opT>
4720 nodeT& node = acc->second;
4728 const keyT& child = kit.key();
4738 template <
typename opT>
4751 template <
typename opT>
4764 void broaden_op(
const keyT& key,
const std::vector< Future <bool> >&
v);
4800 typedef std::pair<coeffT, std::pair<double,double> >
compressT;
4870 const keyT& key = it->first;
4871 nodeT& node = it->second;
4885 template <
typename Archive>
void serialize(
const Archive& ar) {
4892 template<
size_t OPDIM>
4901 template <
class Archive>
4912 template <
typename opT,
typename R,
size_t OPDIM>
4940 template <
typename opT,
typename R,
size_t OPDIM>
4978 template <
typename opT,
typename R,
size_t OPDIM>
4983 if (2*OPDIM==
NDIM) result=
op->apply2_lowdim(args.
key, args.
d, coeff,
4985 if (OPDIM==
NDIM) result =
op->apply2(args.
key, args.
d, coeff,
4988 const double result_norm=result.
svd_normf();
4990 if (result_norm> 0.3*args.
tol/args.
fac) {
5020 template <
typename opT,
typename R>
5032 typedef typename opT::keyT opkeyT;
5033 constexpr auto opdim = opT::opdim;
5034 const opkeyT
source =
op->get_source_key(key);
5052 double radius = 1.5 + 0.33 * std::max(0.0, 2 - std::log10(
thresh) -
5058 double cnorm =
c.normf();
5065 (
op->particle() == 1)
5067 op->func_domain_is_periodic())
5069 op->func_domain_is_periodic());
5071 const auto default_real_distance_squared = [&](
const auto &
displacement)
5075 const auto default_lattice_distance_squared = [&](
const auto &
displacement)
5079 const auto default_skip_predicate = [&](
const auto &
displacement)
5083 const auto for_each = [&](
const auto &displacements,
5084 const auto &real_distance_squared,
5085 const auto &lattice_distance_squared,
5086 const auto &skip_predicate) -> std::optional<double> {
5102 std::optional<double> real_last_distsq;
5103 std::optional<std::uint64_t> lattice_last_distsq;
5108 const auto &probing_displacement =
5109 displacements.probing_displacement();
5110 const double opnorm =
5112 if (cnorm * opnorm <= tol / fac) {
5123 if (
op->particle() == 1)
5132 const auto real_distsq = real_distance_squared(
displacement);
5133 const std::uint64_t lattice_distsq = real_distsq ? 0 : lattice_distance_squared(
displacement);
5134 if (!real_last_distsq.has_value() ||
5135 !
nearlyEqual(real_distsq, *real_last_distsq) || (
nearlyEqual(*real_last_distsq, 0) && lattice_distsq != *lattice_last_distsq)) {
5136 if (nvalid > 0 && nused == 0 && (real_distsq > 0 || lattice_distsq > 1)) {
5145 real_last_distsq = real_distsq;
5147 lattice_last_distsq = real_distsq ? std::optional<std::uint64_t>{} : lattice_distsq;
5150 keyT dest =
neighbor(key,
d, func_is_treated_by_op_as_periodic);
5155 if (cnorm * opnorm > tol / fac) {
5158 if (result.
normf() > 0.3 * tol / fac) {
5171 return real_last_distsq;
5178 const std::vector<opkeyT> &disp =
op->get_disp(key.
level());
5179 const auto max_distsq_reached = for_each(disp, default_real_distance_squared, default_lattice_distance_squared, default_skip_predicate);
5184 if (
op->range_restricted() && key.
level() >= 1) {
5186 std::array<std::optional<std::int64_t>, opdim> box_radius;
5187 std::array<std::optional<std::int64_t>, opdim> surface_thickness;
5188 auto &
range =
op->get_range();
5189 for (
int d = 0;
d != opdim; ++
d) {
5192 surface_thickness[
d] =
range[
d].finite_soft() ? 1 : 0;
5199 if (max_distsq_reached)
5203 std::optional<Translation> probe_offset_radius;
5204 if (max_distsq_reached) {
5209 const std::size_t d0 = (
op->particle() == 1) ? 0 :
NDIM - opdim;
5211 for (std::size_t
d = d0;
d != d0 + opdim; ++
d) widest = std::max(widest, cell_width(
d));
5215 probe_offset_radius = 0;
5218 auto opkey =
op->particle() == 1 ? key.template extract_front<opdim>() : key.template extract_back<opdim>();
5220 range_boundary_face_displacements(opkey, box_radius,
5222 op->lattice_summed(),
5224 probe_offset_radius);
5226 range_boundary_face_displacements,
5229 [](
const auto &
displacement) -> std::uint64_t {
return 0; },
5230 default_skip_predicate);
5236 template <
typename opT,
typename R>
5240 for (
const auto& [key, node]:
f.coeffs) {
5241 if (node.has_coeff()) {
5242 if (node.coeff().dim(0) !=
k ||
op.doleaves) {
5245 woT::task(
p, &implT:: template do_apply<opT,R>, &
op, key, node.coeff().reconstruct_tensor());
5269 template <
typename opT,
typename R>
5271 const bool& do_kernel) {
5274 typedef typename opT::keyT opkeyT;
5277 std::list<opkeyT> blacklist;
5279 constexpr auto opdim=opT::opdim;
5283 const opkeyT
source=
op->get_source_key(key);
5288 double fac=std::pow(3,
NDIM*0.5);
5289 double cnorm = coeff.
normf();
5293 apply_targs.
thresh=tol/fac*0.03;
5303#ifdef HAVE_GENTENSOR
5312 for (
const auto&
d: disp) {
5313 const int shell=
d.distsq_bc(
op->lattice_summed());
5314 if (do_kernel and (shell>0))
break;
5315 if ((not do_kernel) and (shell==0))
continue;
5331 bool screened=
false;
5332 typename std::list<opkeyT>::const_iterator it2;
5333 for (it2=blacklist.begin(); it2!=blacklist.end(); it2++) {
5334 if (
d.is_farther_out_than(*it2)) {
5344 if (cnorm*opnorm> tol/fac) {
5346 double cost_ratio=
op->estimate_costs(
source,
d, coeff_SVD, tol/fac/cnorm, tol/fac);
5350 if (cost_ratio>0.0) {
5354 if (cost_ratio<1.0) {
5358 if (2*opdim==
NDIM) {
5364 maxnorm=std::max(
norm,maxnorm);
5367 }
else if (shell >= 12) {
5370 if (
norm<0.3*tol/fac) blacklist.push_back(
d);
5378 template <
typename opT,
typename R>
5387 const keyT& key = it->first;
5388 const coeffT& coeff = it->second.coeff();
5392 woT::task(
p, &implT:: template do_apply_directed_screening<opT,R>, &
op, key, coeff,
true);
5393 woT::task(
p, &implT:: template do_apply_directed_screening<opT,R>, &
op, key, coeff,
false);
5419 template<
typename opT, std::
size_t LDIM>
5432 coeff_opT coeff_op(
this,ff,gg,&apply_op);
5438 woT::task(
p, &implT:: template forward_traverse<coeff_opT,apply_opT>, coeff_op, apply_op,
key0);
5446 template<
typename opT, std::
size_t LDIM>
5487 bool is_leaf=
leaf_op(key,fcoeff,gcoeff);
5501 result->
task(
p,&implT:: template do_apply_directed_screening<opT,T>,
5507 return std::pair<bool,coeffT> (is_leaf,
coeffT());
5513 const coeffT& coeff)
const {
5516 if (key.
level()<2) is_leaf=
false;
5517 return std::pair<bool,coeffT> (is_leaf,coeff);
5538 const opT* apply_op1) {
5542 template <
typename Archive>
void serialize(
const Archive& ar) {
5553 template<
typename opT>
5563 coeff_opT coeff_op(
this,fimpl,&apply_op);
5569 coeff_op, apply_op,
cdata.key0);
5577 template<
typename opT>
5583 typedef std::pair<bool,coeffT>
argT;
5611 result->
task(
p,&implT:: template do_apply_directed_screening<opT,T>,
5617 if (
iaf.is_leaf())
return argT(
true,coeff);
5621 const bool is_leaf=
true;
5631 if (key.
level()<2) is_leaf=
false;
5632 return argT(is_leaf,coeff);
5654 return this_type(result1,iaf1,apply_op1);
5657 template <
typename Archive>
void serialize(
const Archive& ar) {
5666 template <
typename opT>
5671 std::vector<long> vq(
NDIM);
5672 for (std::size_t i=0; i<
NDIM; ++i)
5674 tensorT fval(vq,
false), work(vq,
false), result(vq,
false);
5692 double err = fval.normf();
5696 template <
typename opT>
5715 const keyT& key = it->first;
5716 const nodeT& node = it->second;
5727 template <
typename Archive>
5734 template <
typename opT>
5738 const int npt =
cdata.npt + 1;
5753 const nodeT& node = it->second;
5767 template <
typename Archive>
void serialize(
const Archive& ar) {
5777 template<
typename R>
5788 const keyT& key=it->first;
5789 const nodeT& fnode = it->second;
5796 MADNESS_EXCEPTION(
"functions have different k or compress/reconstruct error", 0);
5815 template <
typename Archive>
void serialize(
const Archive& ar) {
5823 template <
typename R>
5838 template<
typename R>
5850 constexpr std::size_t LDIM=std::max(
NDIM/2,std::size_t(1));
5852 const keyT& key=it->first;
5853 const nodeT& fnode = it->second;
5854 if (not fnode.
has_coeff())
return resultT(0.0);
5857 auto find_valid_parent = [](
auto& key,
auto& impl,
auto&& find_valid_parent) {
5858 MADNESS_CHECK(impl->get_coeffs().owner(key)==impl->world.rank());
5859 if (impl->get_coeffs().probe(key))
return key;
5860 auto parentkey=key.
parent();
5861 return find_valid_parent(parentkey, impl, find_valid_parent);
5865 auto get_coeff = [&find_valid_parent](
const auto& key,
const auto& v_impl) {
5866 if ((v_impl.size()>0) and v_impl.front().get()) {
5867 auto impl=v_impl.front();
5871 auto parentkey = find_valid_parent(key, impl, find_valid_parent);
5873 typename decltype(impl->coeffs)::accessor acc;
5874 impl->get_coeffs().find(acc,parentkey);
5875 auto parentcoeff=acc->second.coeff();
5876 auto coeff=impl->parent_to_child(parentcoeff, parentkey, key);
5880 typedef typename std::decay_t<
decltype(v_impl)>::value_type::element_type::typeT S;
5887 auto make_vector = [](
auto&
arg) {
5888 return std::vector<std::decay_t<
decltype(
arg)>>(1,
arg);
5899 "only one ket function supported in inner_on_demand");
5901 "only one p1 function supported in inner_on_demand");
5903 "only one p2 function supported in inner_on_demand");
5904 auto coeff_bra=fnode.
coeff();
5905 auto coeff_ket=get_coeff(key,
func->impl_ket_vector);
5906 auto coeff_v1=get_coeff(key1,make_vector(
func->impl_m1));
5907 auto coeff_v2=get_coeff(key2,make_vector(
func->impl_m2));
5908 auto coeff_p1=get_coeff(key1,
func->impl_p1_vector);
5909 auto coeff_p2=get_coeff(key2,
func->impl_p2_vector);
5913 if (coeff_ket.has_data() and coeff_p1.has_data()) {
5917 }
else if (coeff_ket.has_data() or coeff_p1.has_data()) {
5918 coeff_ket = (coeff_ket.has_data()) ? coeff_ket :
outer(coeff_p1,coeff_p2);
5925 if (coeff_v1.has_data()) {
5927 v1v2ket = pm(key,coeff_v1.full_tensor(), 1);
5929 v1v2ket+= pm(key,coeff_v2.full_tensor(), 2);
5932 v1v2ket = coeff_ket;
5936 if (
func->impl_eri) {
5940 tensorT braket=pm(key,coeff_bra.full_tensor_copy().conj());
5946 result=coeff_bra.full_tensor_copy().trace_conj(v1v2ket.
full_tensor_copy());
5955 template <
typename Archive>
void serialize(
const Archive& ar) {
5963 template <
typename R>
5975 template<
typename R>
5986 const keyT& key=it->first;
5987 const nodeT& fnode = it->second;
5994 MADNESS_EXCEPTION(
"functions have different k or compress/reconstruct error", 0);
6013 template <
typename Archive>
void serialize(
const Archive& ar) {
6021 template <
typename R>
6035 typedef std::vector< std::pair<int,const coeffT*> >
mapvecT;
6044 typename mapT::accessor acc;
6045 const keyT& key = it->first;
6048 [[maybe_unused]]
auto inserted = map->insert(acc,key);
6049 acc->second.push_back(std::make_pair(index,&(node.
coeff())));
6062 for (
unsigned int i=0; i<
v.size(); i++) {
6066 if (
v.size())
v[0]->world.taskq.fence();
6072 template <
typename R>
6074 const typename mapT::iterator lend,
6081 for (
typename mapT::iterator lit=lstart; lit!=lend; ++lit) {
6082 const keyT& key = lit->first;
6084 if (rit != rmap_ptr->end()) {
6085 const mapvecT& leftv = lit->second;
6087 const int nleft = leftv.
size();
6088 const int nright= rightv.
size();
6090 for (
int iv=0; iv<nleft; iv++) {
6091 const int i = leftv[iv].first;
6094 for (
int jv=0; jv<nright; jv++) {
6095 const int j = rightv[jv].first;
6098 if (!sym || (sym && i<=j))
6099 r(i,j) += iptr->trace_conj(*jptr);
6109 template <
typename R>
6111 const typename mapT::iterator lend,
6118 for (
typename mapT::iterator lit=lstart; lit!=lend; ++lit) {
6119 const keyT& key = lit->first;
6121 if (rit != rmap_ptr->end()) {
6122 const mapvecT& leftv = lit->second;
6124 const size_t nleft = leftv.
size();
6125 const size_t nright= rightv.
size();
6127 unsigned int size = leftv[0].second->size();
6131 for(
unsigned int iv = 0; iv < nleft; ++iv) Left(iv,
_) = (*(leftv[iv].second)).full_tensor();
6132 for(
unsigned int jv = 0; jv < nright; ++jv) Right(jv,
_) = (*(rightv[jv].second)).full_tensor();
6137 for(
unsigned int iv = 0; iv < nleft; ++iv) {
6138 const int i = leftv[iv].first;
6139 for(
unsigned int jv = 0; jv < nright; ++jv) {
6140 const int j = rightv[jv].first;
6141 if (!sym || (sym && i<=j)) result(i,j) += r(iv,jv);
6152 template <
typename R,
typename = std::enable_if_t<std::is_
floating_po
int_v<R>>>
6153 static void do_dot_localX(
const typename mapT::iterator lstart,
6154 const typename mapT::iterator lend,
6162 for (
typename mapT::iterator lit = lstart; lit != lend; ++lit) {
6163 const keyT& key = lit->first;
6165 if (rit != rmap_ptr->end()) {
6166 const mapvecT& leftv = lit->second;
6168 const int nleft = leftv.
size();
6169 const int nright = rightv.
size();
6171 for (
int iv = 0; iv < nleft; iv++) {
6172 const int i = leftv[iv].first;
6175 for (
int jv = 0; jv < nright; jv++) {
6176 const int j = rightv[jv].first;
6179 if (!sym || (sym && i <= j))
6180 r(i, j) += iptr->trace_conj(*jptr);
6190 template <
typename R>
6192 const typename mapT::iterator lend,
6199 for (
typename mapT::iterator lit = lstart; lit != lend; ++lit) {
6200 const keyT& key = lit->first;
6202 if (rit != rmap_ptr->end()) {
6203 const mapvecT& leftv = lit->second;
6205 const size_t nleft = leftv.
size();
6206 const size_t nright= rightv.
size();
6208 unsigned int size = leftv[0].second->size();
6212 for(
unsigned int iv = 0; iv < nleft; ++iv) Left(iv,
_) = (*(leftv[iv].second)).full_tensor();
6213 for(
unsigned int jv = 0; jv < nright; ++jv) Right(jv,
_) = (*(rightv[jv].second)).full_tensor();
6217 for(
unsigned int iv = 0; iv < nleft; ++iv) {
6218 const int i = leftv[iv].first;
6219 for(
unsigned int jv = 0; jv < nright; ++jv) {
6220 const int j = rightv[jv].first;
6221 if (!sym || (sym && i <= j)) result(i, j) += r(iv, jv);
6230 template <
typename Real>
6231 static std::enable_if_t<std::is_floating_point_v<Real>, Real>
conj(
const Real x) {
6235 template <
typename Real>
6236 static std::complex<Real>
conj(
const std::complex<Real>& x) {
6237 return std::conj(x);
6240 template <
typename R>
6266 size_t chunk = (lmap.size()-1)/(3*4*5)+1;
6271 typename mapT::iterator lstart=lmap.begin();
6272 while (lstart != lmap.end()) {
6273 typename mapT::iterator lend = lstart;
6274 advance(lend,chunk);
6278 left[0]->world.taskq.fence();
6281 for (
long i=0; i<r.
dim(0); i++) {
6282 for (
long j=0; j<i; j++) {
6292 template <
typename R>
6318 size_t chunk = (lmap.size() - 1) / (3 * 4 * 5) + 1;
6323 typename mapT::iterator lstart=lmap.begin();
6324 while (lstart != lmap.end()) {
6325 typename mapT::iterator lend = lstart;
6326 advance(lend, chunk);
6330 left[0]->world.taskq.fence();
6334 for (
long i = 0; i < r.
dim(0); i++) {
6335 for (
long j = 0; j < i; j++) {
6345 template <
typename R>
6348 static_assert(!std::is_same<R, int>::value &&
6349 std::is_same<R, int>::value,
6350 "Compilation failed because you wanted to know the type; see below:");
6360 template<
typename Q, std::size_t LDIM,
typename R, std::size_t KDIM,
6361 std::size_t CDIM = (KDIM + LDIM -
NDIM) / 2>
6363 const std::array<int, CDIM> v1,
const std::array<int, CDIM> v2) {
6365 typedef std::multimap<Key<NDIM>, std::list<Key<CDIM>>> contractionmapT;
6379 std::list<contractionmapT> all_contraction_maps;
6380 for (std::size_t n=0; n<nmax; ++n) {
6385 auto [h_ijlist, h_jlist] =
h.get_contraction_node_lists(n, v2);
6386 if ((g_ijlist.size() == 0) and (h_ijlist.size() == 0))
break;
6396 bool this_first =
true;
6400 h_ijlist, h_jlist, this_first,
thresh);
6406 h_nc.
key0(), hnode0, v2, v1,
6407 g_ijlist, g_jlist, this_first,
thresh);
6410 contraction_map.merge(contraction_map1);
6412 auto it = contraction_map.begin();
6413 while (it != contraction_map.end()) {
6414 auto it_end = contraction_map.upper_bound(it->first);
6417 while (it2 != it_end) {
6418 it->second.splice(it->second.end(), it2->second);
6419 it2 = contraction_map.erase(it2);
6427 for (
auto& elem: contraction_map) {
6429 elem.second.unique();
6437 all_contraction_maps.push_back(contraction_map);
6439 long mapsize=contraction_map.
size();
6440 if (mapsize==0)
break;
6445 for (
const auto& contraction_map : all_contraction_maps) {
6446 for (
const auto& key_list : contraction_map) {
6448 const std::list<Key<CDIM>>& list=key_list.second;
6450 &
g,&
h,v1,v2,key,list);
6462 template<std::
size_t CDIM>
6463 std::tuple<std::set<Key<NDIM>>, std::map<Key<CDIM>,
double>>
6467 auto has_d_coeffs = [&
cdata](
const coeffT& coeff) {
6468 if (coeff.has_no_data())
return false;
6469 return (coeff.dim(0)==2*
cdata.k);
6473 std::set<Key<NDIM>> ij_list;
6474 std::map<Key<CDIM>,
double> j_list;
6479 if ((key.
level()==
int(n)) and (has_d_coeffs(node.
coeff()))) {
6480 ij_list.insert(key);
6482 for (std::size_t i=0; i<CDIM; ++i) j_trans[i]=key.
translation()[
v[i]];
6484 const double max_d_norm=j_list[jkey];
6485 j_list.insert_or_assign(jkey,std::max(max_d_norm,node.
get_dnorm()));
6487 while (j_list.count(parent_jkey)==0) {
6488 j_list.insert({parent_jkey,1.0});
6489 parent_jkey=parent_jkey.
parent();
6493 return std::make_tuple(ij_list,j_list);
6516 template<std::size_t CDIM, std::size_t ODIM, std::size_t FDIM=
NDIM+ODIM-2*CDIM>
6519 const std::array<int,CDIM>& v_this,
6520 const std::array<int,CDIM>& v_other,
6521 const std::set<
Key<ODIM>>& ij_other_list,
6522 const std::map<
Key<CDIM>,
double>& j_other_list,
6523 bool this_first,
const double thresh) {
6525 std::multimap<Key<FDIM>, std::list<Key<CDIM>>> contraction_map;
6528 if (j_other_list.empty())
return contraction_map;
6535 const double max_d_norm=j_other_list.find(j_this_key)->second;
6541 bool final_scale=key.
level()==ij_other_list.begin()->level();
6542 if (final_scale and sd_norm_product_large) {
6543 for (
auto& other_key : ij_other_list) {
6544 const auto j_other_key=other_key.extract_key(v_other);
6545 if (j_this_key != j_other_key)
continue;
6547 auto k_key=other_key.extract_complement_key(v_other);
6553 contraction_map.insert(std::make_pair(ik_key,std::list<
Key<CDIM>>{j_this_key}));
6555 return contraction_map;
6558 bool continue_recursion = (j_other_list.count(j_this_key)==1);
6559 if (not continue_recursion)
return contraction_map;
6563 continue_recursion = (node.
has_children() or sd_norm_product_large);
6565 if (continue_recursion) {
6567 bool compute_child_s_coeffs=
true;
6572 keyT child=kit.key();
6577 bool need_s_coeffs= childnode_exists ? (acc->second.get_snorm()<=0.0) :
true;
6580 if (need_s_coeffs) {
6581 if (compute_child_s_coeffs) {
6582 if (
d.dim(0)==
cdata.vk[0]) {
6588 compute_child_s_coeffs=
false;
6594 if (not childnode_exists) {
6597 }
else if (childnode_exists and need_s_coeffs) {
6598 acc->second.coeff()=child_s_coeffs;
6602 nodeT& childnode = acc->second;
6606 ij_other_list, j_other_list, this_first,
thresh));
6612 return contraction_map;
6624 template<
typename Q, std::size_t LDIM,
typename R, std::size_t KDIM,
6625 std::size_t CDIM = (KDIM + LDIM -
NDIM) / 2>
6627 const std::array<int, CDIM> v1,
const std::array<int, CDIM> v2,
6630 Key<LDIM - CDIM> i_key;
6631 Key<KDIM - CDIM> k_key;
6635 for (
const auto& j_key: j_key_list) {
6637 auto v_complement = [](
const auto&
v,
const auto& vc) {
6638 constexpr std::size_t VDIM = std::tuple_size<std::decay_t<
decltype(
v)>>::value;
6639 constexpr std::size_t VCDIM = std::tuple_size<std::decay_t<
decltype(vc)>>::value;
6640 std::array<int, VCDIM> result;
6641 for (std::size_t i = 0; i < VCDIM; i++) result[i] = (
v.back() + i + 1) % (VDIM + VCDIM);
6644 auto make_ij_key = [&v_complement](
const auto i_key,
const auto j_key,
const auto&
v) {
6645 constexpr std::size_t IDIM = std::decay_t<
decltype(i_key)>::static_size;
6646 constexpr std::size_t JDIM = std::decay_t<
decltype(j_key)>::static_size;
6647 static_assert(JDIM == std::tuple_size<std::decay_t<
decltype(
v)>>::value);
6650 for (std::size_t i = 0; i <
v.size(); ++i) l[
v[i]] = j_key.translation()[i];
6651 std::array<int, IDIM> vc1;
6652 auto vc = v_complement(
v, vc1);
6653 for (std::size_t i = 0; i < vc.size(); ++i) l[vc[i]] = i_key.translation()[i];
6658 Key<LDIM> ij_key = make_ij_key(i_key, j_key, v1);
6659 Key<KDIM> jk_key = make_ij_key(k_key, j_key, v2);
6663 const coeffT& gcoeff =
g->get_coeffs().find(ij_key).get()->second.coeff();
6664 const coeffT& hcoeff =
h->get_coeffs().find(jk_key).get()->second.coeff();
6666 if (gcoeff.
dim(0) ==
g->get_cdata().k) {
6667 gcoeff1 =
coeffT(
g->get_cdata().v2k,
g->get_tensor_args());
6668 gcoeff1(
g->get_cdata().s0) += gcoeff;
6672 if (hcoeff.
dim(0) ==
g->get_cdata().k) {
6673 hcoeff1 =
coeffT(
h->get_cdata().v2k,
h->get_tensor_args());
6674 hcoeff1(
h->get_cdata().s0) += hcoeff;
6680 auto fuse = [](
Tensor<T> tensor,
const std::array<int, CDIM>&
v,
int offset) {
6681 for (std::size_t i = 0; i < CDIM - 1; ++i) {
6691 auto contract2 = [](
const auto& svdcoeff,
const auto& tensor,
const int particle) {
6693 const int spectator_particle=(
particle+1)%2;
6694 Tensor<Q> gtensor = svdcoeff.get_svdtensor().make_vector_with_weights(
particle);
6695 gtensor=gtensor.
reshape(svdcoeff.rank(),gtensor.
size()/svdcoeff.rank());
6697 Tensor<Q> gtensor_other = svdcoeff.get_svdtensor().ref_vector(spectator_particle);
6714 if (key.
level() > 0) {
6717 gtensor = fuse(gtensor, v1,
offset);
6718 htensor = fuse(htensor, v2,
offset);
6731 int gparticle= v1[0]==0 ? 0 : 1;
6732 int hparticle= v2[0]==0 ? 0 : 1;
6744 result_tmp.
get_svdtensor().set_vectors_and_weights(
w,tmp2,htensor_other);
6745 if (key.
level() > 0) {
6758 result_coeff1.
get_svdtensor().set_vectors_and_weights(
w,tmp2,htensor_other);
6761 result_coeff+=result_tmp;
6771 int hparticle= v2[0]==0 ? 0 : 1;
6784 int gparticle= v1[0]==0 ? 0 : 1;
6817 return c.trace_conj(fc);
6830 T new_inner, result = 0.0;
6837 if (old_inner == T(0)) {
6841 if (
coeffs.
find(key).get()->second.has_children()) {
6847 const keyT& child = it.key();
6851 new_inner = inner_child.
sum();
6852 }
else if (leaf_refine) {
6869 const keyT& child = it.key();
6873 new_inner = inner_child.
sum();
6877 new_inner = old_inner;
6889 const keyT& child = it.key();
6899 const std::shared_ptr< FunctionFunctorInterface<T, NDIM> >
fref;
6905 const implT * impl,
const bool leaf_refine,
const bool do_leaves)
6906 : fref(
f), impl(impl), leaf_refine(leaf_refine), do_leaves(do_leaves) {};
6909 if (do_leaves and it->second.is_leaf()) {
6910 tensorT cc = it->second.coeff().full_tensor();
6912 }
else if ((not do_leaves) and (it->first.level() == impl->
initial_level)) {
6913 tensorT cc = it->second.coeff().full_tensor();
6924 template <
typename Archive>
void serialize(
const Archive& ar) {
6960 const bool leaf_refine, T old_inner=T(0))
const {
6977 const keyT& child = it.key();
6984 if (leaf_refine and (
std::abs(new_inner - old_inner) > tol)) {
6986 const keyT& child = it.key();
7010 template <
typename L>
7034 template <
typename L>
7037 T
alpha, T
beta,
double tol,
bool below_leaf) {
7043 if (not below_leaf) {
7044 bool left_leaf = left->
coeffs.
find(key).get()->second.is_leaf();
7050 const keyT& child = it.key();
7060 if (lc.
size() == 0) {
7063 if (it->second.has_coeff())
7064 lc = it->second.coeff().reconstruct_tensor();
7068 if (
c.size() == 0) {
7089 const keyT& child = it.key();
7101 double dnorm =
d.normf();
7112 const keyT& child = it.key();
7116 child, left, left_coeff, child_coeff,
f,
alpha,
beta, tol, below_leaf);
7121 template <
typename L>
7137 template<
size_t LDIM>
7139 const int dim,
const bool fence) {
7154 coeff_op, apply_op,
cdata.key0);
7163 template<
size_t LDIM>
7170 typedef std::pair<bool,coeffT>
argT;
7212 const int k=fcoeff.
dim(0);
7213 const int k_ldim=std::pow(
k,LDIM);
7214 std::vector<long> shape(LDIM,
k);
7220 final=
inner(gtensor,ftensor,0,
dim).reshape(shape);
7223 if (fcoeff.
rank()>0) {
7226 const int otherdim = (
dim + 1) % 2;
7230 const tensorT gatensor =
inner(gtensor, atensor, 0, 1);
7235 for (
int r = 0; r < fcoeff.
rank(); ++r)
final +=
weights(r) * btensor(r,
_);
7236 final =
final.reshape(shape);
7266 return this_type(fimpl1,result1,iag1,dim1);
7269 template <
typename Archive>
void serialize(
const Archive& ar) {
7283 template<
size_t LDIM>
7286 typedef std::pair< keyT,coeffT > pairT;
7291 fiterator end =
f->get_coeffs().end();
7292 for (fiterator it=
f->get_coeffs().begin(); it!=end; ++it) {
7309 woT::task(
world.
rank(),&implT:: template do_project_out<LDIM>,fcoeff,result,key1,key2,dim);
7311 }
else if (dim==1) {
7319 woT::task(
world.
rank(),&implT:: template do_project_out<LDIM>,fcoeff,result,key2,key1,dim);
7341 template<
size_t LDIM>
7343 const Key<NDIM>& dest,
const int dim)
const {
7356 const int otherdim=(dim+1)%2;
7357 const int k=fcoeff.
dim(0);
7358 std::vector<Slice> s(fcoeff.
config().dim_per_vector()+1,
_);
7361 for (
int r=0; r<fcoeff.
rank(); ++r) {
7363 const tensorT contracted_tensor=fcoeff.
config().ref_vector(dim)(s).reshape(
k,
k,
k);
7364 const tensorT other_tensor=fcoeff.
config().ref_vector(otherdim)(s).reshape(
k,
k,
k);
7365 const double ovlp= gtensor.trace_conj(contracted_tensor);
7366 const double fac=ovlp * fcoeff.
config().weights(r);
7367 result+=fac*other_tensor;
7397 std::size_t
size()
const;
7403 std::size_t
nCoeff()
const;
7418 template <
typename Q,
typename F>
7422 typename fdcT::const_iterator end =
f.coeffs.
end();
7423 for (
typename fdcT::const_iterator it=
f.coeffs.begin(); it!=end; ++it) {
7424 const keyT& key = it->first;
7425 const fnodeT& node = it->second;
7427 if (node.has_coeff()) {
7458 template <
class Archive,
class T, std::
size_t NDIM>
7470 MADNESS_EXCEPTION(
"FunctionImpl: remote operation attempting to use a locally uninitialized object",0);
7473 MADNESS_EXCEPTION(
"FunctionImpl: remote operation attempting to use an unregistered object",0);
7480 template <
class Archive,
class T, std::
size_t NDIM>
7483 bool exists=(ptr) ?
true :
false;
7485 if (exists) ar & ptr->
id();
7489 template <
class Archive,
class T, std::
size_t NDIM>
7501 MADNESS_EXCEPTION(
"FunctionImpl: remote operation attempting to use a locally uninitialized object",0);
7506 MADNESS_EXCEPTION(
"FunctionImpl: remote operation attempting to use an unregistered object",0);
7514 template <
class Archive,
class T, std::
size_t NDIM>
7517 bool exists=(ptr) ?
true :
false;
7519 if (exists) ar & ptr->
id();
7524 template <
class Archive,
class T, std::
size_t NDIM>
7533 template <
class Archive,
class T, std::
size_t NDIM>
7540 template <
class Archive,
class T, std::
size_t NDIM>
7549 template <
class Archive,
class T, std::
size_t NDIM>
double w(double t, double eps)
Definition DKops.h:22
double q(double t)
Definition DKops.h:18
This header should include pretty much everything needed for the parallel runtime.
An integer with atomic set, get, read+increment, read+decrement, and decrement+test operations.
Definition atomicint.h:126
long dim(int i) const
Returns the size of dimension i.
Definition basetensor.h:147
long ndim() const
Returns the number of dimensions in the tensor.
Definition basetensor.h:144
long size() const
Returns the number of elements in the tensor.
Definition basetensor.h:138
Definition displacements.h:333
std::function< bool(Level, const PointPattern &, std::optional< Displacement > &)> Validator
Definition displacements.h:341
Definition displacements.h:892
a class to track where relevant (parent) coeffs are
Definition funcimpl.h:814
const keyT & key() const
const reference to the key
Definition funcimpl.h:864
CoeffTracker(const CoeffTracker &other, const datumT &datum)
ctor with a pair<keyT,nodeT>
Definition funcimpl.h:844
const LeafStatus & is_leaf() const
const reference to is_leaf flag
Definition funcimpl.h:888
const implT * impl
the funcimpl that has the coeffs
Definition funcimpl.h:823
CoeffTracker & operator=(const CoeffTracker &other)=default
LeafStatus
Definition funcimpl.h:820
@ yes
Definition funcimpl.h:820
@ no
Definition funcimpl.h:820
@ unknown
Definition funcimpl.h:820
CoeffTracker(const CoeffTracker &other)
copy ctor
Definition funcimpl.h:852
double dnorm(const keyT &key) const
return the s and dnorm belonging to the passed-in key
Definition funcimpl.h:881
coeffT coeff_
the coefficients belonging to key
Definition funcimpl.h:829
const implT * get_impl() const
const reference to impl
Definition funcimpl.h:858
const coeffT & coeff() const
const reference to the coeffs
Definition funcimpl.h:861
keyT key_
the current key, which must exists in impl
Definition funcimpl.h:825
double dnorm_
norm of d coefficients corresponding to key
Definition funcimpl.h:831
CoeffTracker(const implT *impl)
the initial ctor making the root key
Definition funcimpl.h:839
void serialize(const Archive &ar)
serialization
Definition funcimpl.h:940
Future< CoeffTracker > activate() const
find the coefficients
Definition funcimpl.h:917
CoeffTracker()
default ctor
Definition funcimpl.h:836
GenTensor< T > coeffT
Definition funcimpl.h:818
CoeffTracker make_child(const keyT &child) const
make a child of this, ignoring the coeffs
Definition funcimpl.h:891
FunctionImpl< T, NDIM > implT
Definition funcimpl.h:816
std::pair< Key< NDIM >, ShallowNode< T, NDIM > > datumT
Definition funcimpl.h:819
CoeffTracker forward_ctor(const CoeffTracker &other, const datumT &datum) const
taskq-compatible forwarding to the ctor
Definition funcimpl.h:934
LeafStatus is_leaf_
flag if key is a leaf node
Definition funcimpl.h:827
coeffT coeff(const keyT &key) const
return the coefficients belonging to the passed-in key
Definition funcimpl.h:872
Key< NDIM > keyT
Definition funcimpl.h:817
CompositeFunctorInterface implements a wrapper of holding several functions and functors.
Definition function_interface.h:172
Definition worldhashmap.h:396
Tri-diagonal operator traversing tree primarily for derivative operator.
Definition derivative.h:73
Holds displacements for applying operators to avoid replicating for all operators.
Definition displacements.h:66
const std::vector< Key< NDIM > > & get_disp(Level n, const array_of_bools< NDIM > &kernel_lattice_sum_axes)
Definition displacements.h:237
FunctionCommonData holds all Function data common for given k.
Definition function_common_data.h:52
Tensor< double > quad_phit
transpose of quad_phi
Definition function_common_data.h:102
Tensor< double > quad_phiw
quad_phiw(i,j) = at x[i] value of w[i]*phi[j]
Definition function_common_data.h:103
std::vector< long > vk
(k,...) used to initialize Tensors
Definition function_common_data.h:93
std::vector< Slice > s0
s[0] in each dimension to get scaling coeff
Definition function_common_data.h:91
static const FunctionCommonData< T, NDIM > & get(int k)
Definition function_common_data.h:111
static void _init_quadrature(int k, int npt, Tensor< double > &quad_x, Tensor< double > &quad_w, Tensor< double > &quad_phi, Tensor< double > &quad_phiw, Tensor< double > &quad_phit)
Initialize the quadrature information.
Definition mraimpl.h:91
collect common functionality does not need to be member function of funcimpl
Definition function_common_data.h:135
const FunctionCommonData< T, NDIM > & cdata
Definition function_common_data.h:138
GenTensor< T > coeffs2values(const Key< NDIM > &key, const GenTensor< T > &coeff) const
Definition function_common_data.h:142
Tensor< T > values2coeffs(const Key< NDIM > &key, const Tensor< T > &values) const
Definition function_common_data.h:155
FunctionDefaults holds default paramaters as static class members.
Definition funcdefaults.h:100
static const double & get_thresh()
Returns the default threshold.
Definition funcdefaults.h:177
static int get_max_refine_level()
Gets the default maximum adaptive refinement level.
Definition funcdefaults.h:214
static const Tensor< double > & get_cell_width()
Returns the width of each user cell dimension.
Definition funcdefaults.h:379
static bool get_apply_randomize()
Gets the random load balancing for integral operators flag.
Definition funcdefaults.h:288
static const Tensor< double > & get_cell()
Gets the user cell for the simulation.
Definition funcdefaults.h:346
FunctionFactory implements the named-parameter idiom for Function.
Definition function_factory.h:86
bool _refine
Definition function_factory.h:99
bool _empty
Definition function_factory.h:100
bool _fence
Definition function_factory.h:103
Abstract base class interface required for functors used as input to Functions.
Definition function_interface.h:68
Definition funcimpl.h:5697
double operator()(double a, double b) const
Definition funcimpl.h:5723
const opT * func
Definition funcimpl.h:5699
Tensor< double > qx
Definition funcimpl.h:5701
double operator()(typename dcT::const_iterator &it) const
Definition funcimpl.h:5714
void serialize(const Archive &ar)
Definition funcimpl.h:5728
do_err_box(const implT *impl, const opT *func, int npt, const Tensor< double > &qx, const Tensor< double > &quad_phit, const Tensor< double > &quad_phiw)
Definition funcimpl.h:5707
int npt
Definition funcimpl.h:5700
Tensor< double > quad_phiw
Definition funcimpl.h:5703
const implT * impl
Definition funcimpl.h:5698
Tensor< double > quad_phit
Definition funcimpl.h:5702
do_err_box(const do_err_box &e)
Definition funcimpl.h:5711
FunctionImpl holds all Function state to facilitate shallow copy semantics.
Definition funcimpl.h:970
std::tuple< std::set< Key< NDIM > >, std::map< Key< CDIM >, double > > get_contraction_node_lists(const std::size_t n, const std::array< int, CDIM > &v) const
for contraction two functions f(x,z) = \int g(x,y) h(y,z) dy
Definition funcimpl.h:6464
void copy_coeffs(const FunctionImpl< Q, NDIM > &other, bool fence)
Copy coeffs from other into self.
Definition funcimpl.h:1228
bool is_nonstandard() const
Definition mraimpl.h:273
void insert_serialized_coeffs(std::vector< unsigned char > &v)
insert coeffs from vector archive into this
Definition funcimpl.h:1284
T eval_cube(Level n, coordT &x, const tensorT &c) const
Definition mraimpl.h:2054
void partial_inner_contract(const FunctionImpl< Q, LDIM > *g, const FunctionImpl< R, KDIM > *h, const std::array< int, CDIM > v1, const std::array< int, CDIM > v2, const Key< NDIM > &key, const std::list< Key< CDIM > > &j_key_list)
tensor contraction part of partial_inner
Definition funcimpl.h:6626
AtomicInt large
Definition funcimpl.h:1085
Timer timer_target_driven
Definition funcimpl.h:1083
void binaryXX(const FunctionImpl< L, NDIM > *left, const FunctionImpl< R, NDIM > *right, const opT &op, bool fence)
Definition funcimpl.h:3395
void do_apply(const opT *op, const keyT &key, const Tensor< R > &c)
apply an operator on the coeffs c (at node key)
Definition funcimpl.h:5021
void do_print_tree_graphviz(const keyT &key, std::ostream &os, Level maxlevel) const
Functor for the do_print_tree method (using GraphViz)
Definition mraimpl.h:2808
void add_keys_to_map(mapT *map, int index) const
Adds keys to union of local keys with specified index.
Definition funcimpl.h:6041
void change_tensor_type1(const TensorArgs &targs, bool fence)
change the tensor type of the coefficients in the FunctionNode
Definition mraimpl.h:1113
void gaxpy_ext_recursive(const keyT &key, const FunctionImpl< L, NDIM > *left, Tensor< L > lcin, tensorT c, T(*f)(const coordT &), T alpha, T beta, double tol, bool below_leaf)
Definition funcimpl.h:7035
int initial_level
Initial level for refinement.
Definition funcimpl.h:999
int max_refine_level
Do not refine below this level.
Definition funcimpl.h:1003
double do_apply_kernel3(const opT *op, const GenTensor< R > &coeff, const do_op_args< OPDIM > &args, const TensorArgs &apply_targs)
same as do_apply_kernel2, but use low rank tensors as input and low rank tensors as output
Definition funcimpl.h:4979
void hartree_product(const std::vector< std::shared_ptr< FunctionImpl< T, LDIM > > > p1, const std::vector< std::shared_ptr< FunctionImpl< T, LDIM > > > p2, const leaf_opT &leaf_op, bool fence)
given two functions of LDIM, perform the Hartree/Kronecker/outer product
Definition funcimpl.h:3936
void traverse_tree(const coeff_opT &coeff_op, const apply_opT &apply_op, const keyT &key) const
traverse a non-existing tree
Definition funcimpl.h:3906
void do_square_inplace(const keyT &key)
int special_level
Minimium level for refinement on special points.
Definition funcimpl.h:1000
void do_apply_kernel(const opT *op, const Tensor< R > &c, const do_op_args< OPDIM > &args)
for fine-grain parallelism: call the apply method of an operator in a separate task
Definition funcimpl.h:4913
compressT compress_op(const keyT &key, const std::vector< Future< compressT > > &v, bool nonstandard)
calculate the wavelet coefficients using the sum coefficients of all child nodes
Definition mraimpl.h:1688
double errsq_local(const opT &func) const
Returns the sum of squares of errors from local info ... no comms.
Definition funcimpl.h:5735
WorldContainer< keyT, nodeT > dcT
Type of container holding the coefficients.
Definition funcimpl.h:982
void evaldepthpt(const Vector< double, NDIM > &xin, const keyT &keyin, const typename Future< Level >::remote_refT &ref)
Get the depth of the tree at a point in simulation coordinates.
Definition mraimpl.h:3080
void scale_inplace(const T q, bool fence)
In-place scale by a constant.
Definition mraimpl.h:3251
void gaxpy_oop_reconstructed(const double alpha, const implT &f, const double beta, const implT &g, const bool fence)
perform: this= alpha*f + beta*g, invoked by result
Definition mraimpl.h:223
void unary_op_coeff_inplace(const opT &op, bool fence)
Definition funcimpl.h:2213
World & world
Definition funcimpl.h:989
void apply_1d_realspace_push_op(const archive::archive_ptr< const opT > &pop, int axis, const keyT &key, const Tensor< R > &c)
Definition funcimpl.h:3974
bool is_redundant() const
Returns true if the function is redundant.
Definition mraimpl.h:262
FunctionNode< T, NDIM > nodeT
Type of node.
Definition funcimpl.h:980
std::size_t nCoeff_local() const
Returns the number of coefficients in the function for this MPI rank.
Definition mraimpl.h:1951
void print_size(const std::string name) const
print tree size and size
Definition mraimpl.h:1970
FunctionImpl(const FunctionImpl< T, NDIM > &p)
void print_info() const
Prints summary of data distribution.
Definition mraimpl.h:833
void abs_inplace(bool fence)
Definition mraimpl.h:3263
void binaryXXa(const keyT &key, const FunctionImpl< L, NDIM > *left, const Tensor< L > &lcin, const FunctionImpl< R, NDIM > *right, const Tensor< R > &rcin, const opT &op)
Definition funcimpl.h:3264
void print_timer() const
Definition mraimpl.h:357
void evalR(const Vector< double, NDIM > &xin, const keyT &keyin, const typename Future< long >::remote_refT &ref)
Get the rank of leaf box of the tree at a point in simulation coordinates.
Definition mraimpl.h:3122
const FunctionCommonData< T, NDIM > & cdata
Definition funcimpl.h:1009
void do_print_grid(const std::string filename, const std::vector< keyT > &keys) const
print the grid in xyz format
Definition mraimpl.h:584
void mulXXa(const keyT &key, const FunctionImpl< L, NDIM > *left, const Tensor< L > &lcin, const FunctionImpl< R, NDIM > *right, const Tensor< R > &rcin, double tol)
Definition funcimpl.h:3178
int get_truncate_mode() const
Definition funcimpl.h:1850
const std::vector< Vector< double, NDIM > > & get_special_points() const
Definition funcimpl.h:994
Future< compressT > compress_spawn(const keyT &key, bool nonstandard, bool keepleaves, bool redundant1)
Invoked on node where key is local.
Definition mraimpl.h:3404
std::size_t nCoeff() const
Returns the number of coefficients in the function ... collective global sum.
Definition mraimpl.h:1961
double vol_nsphere(int n, double R)
Definition funcimpl.h:5009
keyT neighbor_in_volume(const keyT &key, const keyT &disp) const
Returns key of general neighbor that resides in-volume.
Definition mraimpl.h:3376
void compress(const TreeState newstate, bool fence)
compress the wave function
Definition mraimpl.h:1521
void do_dirac_convolution(FunctionImpl< T, LDIM > *f, bool fence) const
Definition funcimpl.h:2296
Future< bool > truncate_spawn(const keyT &key, double tol)
Returns true if after truncation this node has coefficients.
Definition mraimpl.h:2653
void print_type_in_compilation_error(R &&)
Definition funcimpl.h:6346
Future< double > norm_tree_spawn(const keyT &key)
Definition mraimpl.h:1591
std::vector< keyT > local_leaf_keys() const
return the keys of the local leaf boxes
Definition mraimpl.h:558
MADNESS_ASSERT(this->is_redundant()==g.is_redundant())
void do_print_tree(const keyT &key, std::ostream &os, Level maxlevel) const
Functor for the do_print_tree method.
Definition mraimpl.h:2726
void vtransform(const std::vector< std::shared_ptr< FunctionImpl< R, NDIM > > > &vright, const Tensor< Q > &c, const std::vector< std::shared_ptr< FunctionImpl< T, NDIM > > > &vleft, double tol, bool fence)
Definition funcimpl.h:3008
void unset_functor()
Definition mraimpl.h:312
void refine_spawn(const opT &op, const keyT &key)
Definition funcimpl.h:4739
void apply_1d_realspace_push(const opT &op, const FunctionImpl< R, NDIM > *f, int axis, bool fence)
Definition funcimpl.h:4025
void set_truncate_mode(int mode)
Definition funcimpl.h:1851
void do_print_plane(const std::string filename, std::vector< Tensor< double > > plotinfo, const int xaxis, const int yaxis, const coordT el2)
print the MRA structure
Definition mraimpl.h:499
std::pair< Key< NDIM >, ShallowNode< T, NDIM > > find_datum(keyT key) const
return the a std::pair<key, node>, which MUST exist
Definition mraimpl.h:979
void set_functor(const std::shared_ptr< FunctionFunctorInterface< T, NDIM > > functor1)
Definition mraimpl.h:293
std::enable_if< NDIM==FDIM >::type read_grid2(const std::string gridfile, std::shared_ptr< FunctionFunctorInterface< double, NDIM > > vnuc_functor)
read data from a grid
Definition funcimpl.h:1744
bool verify_tree_state_local() const
check that the tree state and the coeffs are consistent
Definition mraimpl.h:169
const std::shared_ptr< WorldDCPmapInterface< Key< NDIM > > > & get_pmap() const
Definition mraimpl.h:207
Tensor< Q > fcube_for_mul(const keyT &child, const keyT &parent, const Tensor< Q > &coeff) const
Compute the function values for multiplication.
Definition funcimpl.h:2060
Timer timer_filter
Definition funcimpl.h:1081
void sock_it_to_me(const keyT &key, const RemoteReference< FutureImpl< std::pair< keyT, coeffT > > > &ref) const
Walk up the tree returning pair(key,node) for first node with coefficients.
Definition mraimpl.h:2866
void recursive_apply(opT &apply_op, const implT *fimpl, implT *rimpl, const bool fence)
traverse an existing tree and apply an operator
Definition funcimpl.h:5554
double get_thresh() const
Definition mraimpl.h:328
void trickle_down(bool fence)
sum all the contributions from all scales after applying an operator in mod-NS form
Definition mraimpl.h:1368
bool autorefine
If true, autorefine where appropriate.
Definition funcimpl.h:1005
bool halo_enabled() const
Is a neighbor halo staged on this function?
Definition funcimpl.h:1032
void set_autorefine(bool value)
Definition mraimpl.h:337
tensorT filter(const tensorT &s) const
Transform sum coefficients at level n to sums+differences at level n-1.
Definition mraimpl.h:1166
void chop_at_level(const int n, const bool fence=true)
remove all nodes with level higher than n
Definition mraimpl.h:1129
void unaryXXvalues(const FunctionImpl< Q, NDIM > *func, const opT &op, bool fence)
Definition funcimpl.h:3422
void partial_inner(const FunctionImpl< Q, LDIM > &g, const FunctionImpl< R, KDIM > &h, const std::array< int, CDIM > v1, const std::array< int, CDIM > v2)
invoked by result
Definition funcimpl.h:6362
TreeState tree_state
Definition funcimpl.h:1012
void print_tree_json(std::ostream &os=std::cout, Level maxlevel=10000) const
Definition mraimpl.h:2746
coeffT parent_to_child_NS(const keyT &child, const keyT &parent, const coeffT &coeff) const
Directly project parent NS coeffs to child NS coeffs.
Definition mraimpl.h:707
void copy_coeffs_different_world(const FunctionImpl< Q, NDIM > &other)
Copy coefficients from other funcimpl with possibly different world and on a different node.
Definition funcimpl.h:1238
void mapdim(const implT &f, const std::vector< long > &map, bool fence)
Permute the dimensions of f according to map, result on this.
Definition mraimpl.h:1071
bool is_compressed() const
Returns true if the function is compressed.
Definition mraimpl.h:250
void receive_halo(const std::vector< std::pair< keyT, coeffT > > &buf) const
Insert pushed neighbor nodes into the halo; runs as a task, concurrently with other pushes.
Definition funcimpl.h:1052
Vector< double, NDIM > coordT
Type of vector holding coordinates.
Definition funcimpl.h:984
void apply(opT &op, const FunctionImpl< R, NDIM > &f, bool fence)
apply an operator on f to return this
Definition funcimpl.h:5237
Tensor< T > tensorT
Type of tensor for anything but to hold coeffs.
Definition funcimpl.h:977
void mirror(const implT &f, const std::vector< long > &mirror, bool fence)
mirror the dimensions of f according to map, result on this
Definition mraimpl.h:1080
T inner_adaptive_recursive(keyT key, const tensorT &c, const std::shared_ptr< FunctionFunctorInterface< T, NDIM > > f, const bool leaf_refine, T old_inner=T(0)) const
Definition funcimpl.h:6958
void store(Archive &ar)
Definition funcimpl.h:1416
void do_binary_op(const keyT &key, const Tensor< L > &left, const std::pair< keyT, Tensor< R > > &arg, const opT &op)
Functor for the binary_op method.
Definition funcimpl.h:2162
void gaxpy_ext(const FunctionImpl< L, NDIM > *left, T(*f)(const coordT &), T alpha, T beta, double tol, bool fence)
Definition funcimpl.h:7122
void accumulate_trees(FunctionImpl< Q, NDIM > &result, const R alpha, const bool fence=true) const
merge the trees of this and other, while multiplying them with the alpha or beta, resp
Definition funcimpl.h:1337
void print_stats() const
print the number of configurations per node
Definition mraimpl.h:1998
void broaden(const array_of_bools< NDIM > &is_periodic, bool fence)
Definition mraimpl.h:1317
coeffT truncate_reconstructed_op(const keyT &key, const std::vector< Future< coeffT > > &v, const double tol)
given the sum coefficients of all children, truncate or not
Definition mraimpl.h:1638
void refine_op(const opT &op, const keyT &key)
Definition funcimpl.h:4714
static Tensor< TENSOR_RESULT_TYPE(T, R) > inner_local(const std::vector< const FunctionImpl< T, NDIM > * > &left, const std::vector< const FunctionImpl< R, NDIM > * > &right, bool sym)
Definition funcimpl.h:6242
void fcube(const keyT &key, const FunctionFunctorInterface< T, NDIM > &f, const Tensor< double > &qx, tensorT &fval) const
Evaluate function at quadrature points in the specified box.
Definition mraimpl.h:2488
Timer timer_change_tensor_type
Definition funcimpl.h:1079
void forward_do_diff1(const DerivativeBase< T, NDIM > *D, const implT *f, const keyT &key, const std::pair< keyT, coeffT > &left, const std::pair< keyT, coeffT > ¢er, const std::pair< keyT, coeffT > &right)
Definition mraimpl.h:932
std::vector< Slice > child_patch(const keyT &child) const
Returns patch referring to coeffs of child in parent box.
Definition mraimpl.h:696
void print_tree_graphviz(std::ostream &os=std::cout, Level maxlevel=10000) const
Definition mraimpl.h:2799
void set_tree_state(const TreeState &state)
Definition funcimpl.h:1447
std::size_t min_nodes() const
Returns the min number of nodes on a processor.
Definition mraimpl.h:1902
void copy_coeffs_same_world(const FunctionImpl< Q, NDIM > &other, bool fence)
Copy coeffs from other into self.
Definition funcimpl.h:1291
std::shared_ptr< FunctionFunctorInterface< T, NDIM > > functor
Definition funcimpl.h:1011
Timer timer_compress_svd
Definition funcimpl.h:1082
Tensor< TENSOR_RESULT_TYPE(T, R)> mul(const Tensor< T > &c1, const Tensor< R > &c2, const int npt, const keyT &key) const
multiply the values of two coefficient tensors using a custom number of grid points
Definition funcimpl.h:2135
void make_redundant(const bool fence)
convert this to redundant, i.e. have sum coefficients on all levels
Definition mraimpl.h:1549
void load(Archive &ar)
Definition funcimpl.h:1398
std::size_t max_nodes() const
Returns the max number of nodes on a processor.
Definition mraimpl.h:1893
T inner_ext_local(const std::shared_ptr< FunctionFunctorInterface< T, NDIM > > f, const bool leaf_refine) const
Definition funcimpl.h:6933
coeffT upsample(const keyT &key, const coeffT &coeff) const
upsample the sum coefficients of level 1 to sum coeffs on level n+1
Definition mraimpl.h:1245
TensorArgs targs
type of tensor to be used in the FunctionNodes
Definition funcimpl.h:1007
void flo_unary_op_node_inplace(const opT &op, bool fence)
Definition funcimpl.h:2325
std::size_t size_local() const
Returns the number of coefficients in the function for each rank.
Definition mraimpl.h:1920
GenTensor< Q > values2coeffs(const keyT &key, const GenTensor< Q > &values) const
Definition funcimpl.h:2039
void plot_cube_kernel(archive::archive_ptr< Tensor< T > > ptr, const keyT &key, const coordT &plotlo, const coordT &plothi, const std::vector< long > &npt, bool eval_refine) const
Definition mraimpl.h:3470
T trace_local() const
Returns int(f(x),x) in local volume.
Definition mraimpl.h:3305
void print_grid(const std::string filename) const
Definition mraimpl.h:542
void replicate_on_hosts(bool fence=true)
Definition funcimpl.h:1207
bool get_autorefine() const
Definition mraimpl.h:334
int k
Wavelet order.
Definition funcimpl.h:997
void vtransform_doit(const std::shared_ptr< FunctionImpl< R, NDIM > > &right, const Tensor< Q > &c, const std::vector< std::shared_ptr< FunctionImpl< T, NDIM > > > &vleft, double tol)
Definition funcimpl.h:2857
MADNESS_CHECK(this->is_reconstructed())
void phi_for_mul(Level np, Translation lp, Level nc, Translation lc, Tensor< double > &phi) const
Compute the Legendre scaling functions for multiplication.
Definition mraimpl.h:3273
Future< std::pair< keyT, coeffT > > find_me(const keyT &key) const
find_me. Called by diff_bdry to get coefficients of boundary function
Definition mraimpl.h:3391
TensorType get_tensor_type() const
Definition mraimpl.h:319
void do_project_out(const coeffT &fcoeff, const std::pair< keyT, coeffT > gpair, const keyT &gkey, const Key< NDIM > &dest, const int dim) const
compute the inner product of two nodes of only some dimensions and accumulate on result
Definition funcimpl.h:7342
void remove_leaf_coefficients(const bool fence)
Definition mraimpl.h:1543
void insert_zero_down_to_initial_level(const keyT &key)
Initialize nodes to zero function at initial_level of refinement.
Definition mraimpl.h:2622
void do_diff1(const DerivativeBase< T, NDIM > *D, const implT *f, const keyT &key, const std::pair< keyT, coeffT > &left, const std::pair< keyT, coeffT > ¢er, const std::pair< keyT, coeffT > &right)
Definition mraimpl.h:943
typedef TENSOR_RESULT_TYPE(T, R) resultT
void unary_op_node_inplace(const opT &op, bool fence)
Definition funcimpl.h:2234
T inner_adaptive_local(const std::shared_ptr< FunctionFunctorInterface< T, NDIM > > f, const bool leaf_refine) const
Definition funcimpl.h:6944
void do_print_tree_json(const keyT &key, std::multimap< Level, std::tuple< tranT, std::string > > &data, Level maxlevel) const
Functor for the do_print_tree_json method.
Definition mraimpl.h:2777
std::multimap< Key< FDIM >, std::list< Key< CDIM > > > recur_down_for_contraction_map(const keyT &key, const nodeT &node, const std::array< int, CDIM > &v_this, const std::array< int, CDIM > &v_other, const std::set< Key< ODIM > > &ij_other_list, const std::map< Key< CDIM >, double > &j_other_list, bool this_first, const double thresh)
make a map of all nodes that will contribute to a partial inner product
Definition funcimpl.h:6517
std::shared_ptr< FunctionImpl< T, NDIM > > pimplT
pointer to this class
Definition funcimpl.h:976
TENSOR_RESULT_TYPE(T, R) dot_local(const FunctionImpl< R
Returns the dot product ASSUMING same distribution.
void finalize_sum()
after summing up we need to do some cleanup;
Definition mraimpl.h:1850
std::enable_if< NDIM==FDIM >::type read_grid(const std::string keyfile, const std::string gridfile, std::shared_ptr< FunctionFunctorInterface< double, NDIM > > vnuc_functor)
read data from a grid
Definition funcimpl.h:1637
dcT coeffs
The coefficients.
Definition funcimpl.h:1014
bool exists_and_is_leaf(const keyT &key) const
Definition mraimpl.h:1289
static std::complex< Real > conj(const std::complex< Real > &x)
Definition funcimpl.h:6236
void make_Vphi(const opT &leaf_op, const bool fence=true)
assemble the function V*phi using V and phi given from the functor
Definition funcimpl.h:4506
void unaryXX(const FunctionImpl< Q, NDIM > *func, const opT &op, bool fence)
Definition funcimpl.h:3409
std::vector< std::pair< int, const coeffT * > > mapvecT
Type of the entry in the map returned by make_key_vec_map.
Definition funcimpl.h:6035
void project_out(FunctionImpl< T, NDIM-LDIM > *result, const FunctionImpl< T, LDIM > *gimpl, const int dim, const bool fence)
project the low-dim function g on the hi-dim function f: result(x) = <this(x,y) | g(y)>
Definition funcimpl.h:7138
void verify_tree() const
Verify tree is properly constructed ... global synchronization involved.
Definition mraimpl.h:111
void do_square_inplace2(const keyT &parent, const keyT &child, const tensorT &parent_coeff)
void gaxpy_inplace_reconstructed(const T &alpha, const FunctionImpl< Q, NDIM > &g, const R &beta, const bool fence)
Definition funcimpl.h:1305
void undo_replicate(bool fence=true)
Definition funcimpl.h:1212
void set_tensor_args(const TensorArgs &t)
Definition mraimpl.h:325
GenTensor< Q > fcube_for_mul(const keyT &child, const keyT &parent, const GenTensor< Q > &coeff) const
Compute the function values for multiplication.
Definition funcimpl.h:2088
Range< typename dcT::const_iterator > rangeT
Definition funcimpl.h:5826
std::size_t real_size() const
Returns the number of coefficients in the function ... collective global sum.
Definition mraimpl.h:1938
bool exists_and_has_children(const keyT &key) const
Definition mraimpl.h:1284
void sum_down_spawn(const keyT &key, const coeffT &s)
is this the same as trickle_down() ?
Definition mraimpl.h:876
void multi_to_multi_op_values(const opT &op, const std::vector< implT * > &vin, std::vector< implT * > &vout, const bool fence=true)
Inplace operate on many functions (impl's) with an operator within a certain box.
Definition funcimpl.h:2979
long box_interior[1000]
Definition funcimpl.h:3454
std::atomic< ConcurrentHashMap< keyT, coeffT > * > neighbor_halo_
Neighbor coefficients pushed here by whoever owns them; null until something stages.
Definition funcimpl.h:1025
keyT neighbor(const keyT &key, const keyT &disp, const array_of_bools< NDIM > &is_periodic) const
Returns key of general neighbor enforcing BC.
Definition mraimpl.h:3361
GenTensor< Q > NS_fcube_for_mul(const keyT &child, const keyT &parent, const GenTensor< Q > &coeff, const bool s_only) const
Compute the function values for multiplication.
Definition funcimpl.h:1958
rangeT range(coeffs.begin(), coeffs.end())
void norm_tree(bool fence)
compute for each FunctionNode the norm of the function inside that node
Definition mraimpl.h:1568
void gaxpy_inplace(const T &alpha, const FunctionImpl< Q, NDIM > &other, const R &beta, bool fence)
Inplace general bilinear operation.
Definition funcimpl.h:1385
const Tensor< double > cell
the size of the root cell in each dimension, unchangeable
Definition funcimpl.h:1002
bool has_leaves() const
Definition mraimpl.h:288
bool verify_parents_and_children() const
check that parents and children are consistent
Definition mraimpl.h:119
void apply_source_driven(opT &op, const FunctionImpl< R, NDIM > &f, bool fence)
similar to apply, but for low rank coeffs
Definition funcimpl.h:5379
std::size_t halo_size() const
How many neighbor nodes are staged on this rank; zero if no halo.
Definition funcimpl.h:1044
void distribute(std::shared_ptr< WorldDCPmapInterface< Key< NDIM > > > newmap) const
Definition funcimpl.h:1219
int get_special_level() const
Definition funcimpl.h:993
void reconstruct_op(const keyT &key, const coeffT &s, const bool accumulate_NS=true)
Definition mraimpl.h:2121
tensorT gaxpy_ext_node(keyT key, Tensor< L > lc, T(*f)(const coordT &), T alpha, T beta) const
Definition funcimpl.h:7011
const coeffT parent_to_child(const coeffT &s, const keyT &parent, const keyT &child) const
Directly project parent coeffs to child coeffs.
Definition mraimpl.h:3288
WorldObject< FunctionImpl< T, NDIM > > woT
Base class world object type.
Definition funcimpl.h:972
void undo_redundant(const bool fence)
convert this from redundant to standard reconstructed form
Definition mraimpl.h:1559
GenTensor< T > coeffT
Type of tensor used to hold coeffs.
Definition funcimpl.h:981
const keyT & key0() const
Returns cdata.key0.
Definition mraimpl.h:394
double finalize_apply()
after apply we need to do some cleanup;
Definition mraimpl.h:1807
bool leaves_only
Definition funcimpl.h:5831
friend hashT hash_value(const FunctionImpl< T, NDIM > *pimpl)
Hash a pointer to FunctionImpl.
Definition funcimpl.h:7442
const dcT & get_coeffs() const
Definition mraimpl.h:343
FunctionImpl(World &world, const FunctionImpl< Q, NDIM > &other, const std::shared_ptr< WorldDCPmapInterface< Key< NDIM > > > &pmap, bool dozero)
Copy constructor.
Definition funcimpl.h:1168
compressT make_redundant_op(const keyT &key, const std::vector< Future< compressT > > &v)
similar to compress_op, but insert only the sum coefficients in the tree
Definition mraimpl.h:1752
T inner_ext_node(keyT key, tensorT c, const std::shared_ptr< FunctionFunctorInterface< T, NDIM > > f) const
Return the inner product with an external function on a specified function node.
Definition funcimpl.h:6810
double norm2sq_local() const
Returns the square of the local norm ... no comms.
Definition mraimpl.h:1859
const FunctionCommonData< T, NDIM > & get_cdata() const
Definition mraimpl.h:349
void sum_down(bool fence)
After 1d push operator must sum coeffs down the tree to restore correct scaling function coefficients...
Definition mraimpl.h:922
T inner_ext_recursive(keyT key, tensorT c, const std::shared_ptr< FunctionFunctorInterface< T, NDIM > > f, const bool leaf_refine, T old_inner=T(0)) const
Definition funcimpl.h:6827
bool noautorefine(const keyT &key, const tensorT &t) const
Always returns false (for when autorefine is not wanted)
Definition mraimpl.h:859
double truncate_tol(double tol, const keyT &key) const
Returns the truncation threshold according to truncate_method.
Definition mraimpl.h:649
void flo_unary_op_node_inplace(const opT &op, bool fence) const
Definition funcimpl.h:2335
bool autorefine_square_test(const keyT &key, const nodeT &t) const
Returns true if this block of coeffs needs autorefining.
Definition mraimpl.h:865
void erase(const Level &max_level)
truncate tree at a certain level
Definition mraimpl.h:739
void mulXX(const FunctionImpl< L, NDIM > *left, const FunctionImpl< R, NDIM > *right, double tol, bool fence)
Definition funcimpl.h:3381
std::pair< coeffT, std::pair< double, double > > compressT
s coefficients plus the (snorm_tree, dnorm_tree) pair propagated up by compress
Definition funcimpl.h:4800
void reconstruct(bool fence)
reconstruct this tree – respects fence
Definition mraimpl.h:1489
void multiply(const implT *f, const FunctionImpl< T, LDIM > *g, const int particle)
multiply f (a pair function of NDIM) with an orbital g (LDIM=NDIM/2)
Definition funcimpl.h:3798
coeffT assemble_coefficients(const keyT &key, const coeffT &coeff_ket, const coeffT &vpotential1, const coeffT &vpotential2, const tensorT &veri) const
given several coefficient tensors, assemble a result tensor
Definition mraimpl.h:1027
static void tnorm(const tensorT &t, double *lo, double *hi)
Computes norm of low/high-order polyn. coeffs for autorefinement test.
Definition mraimpl.h:3165
std::pair< bool, T > eval_local_only(const Vector< double, NDIM > &xin, Level maxlevel)
Evaluate function only if point is local returning (true,value); otherwise return (false,...
Definition mraimpl.h:2960
bool halo_probe(const keyT &key, coeffT &out) const
Look up a staged neighbor; on a hit copy its coefficients, which are empty for an interior node.
Definition funcimpl.h:1070
std::size_t max_depth() const
Returns the maximum depth of the tree ... collective ... global sum/broadcast.
Definition mraimpl.h:1885
std::size_t size() const
Returns the number of coefficients in the function ... collective global sum.
Definition mraimpl.h:1930
void reduce_rank(const double thresh, bool fence)
reduce the rank of the coefficients tensors
Definition mraimpl.h:1121
TreeState get_tree_state() const
Definition funcimpl.h:1451
void merge_trees(const T alpha, const FunctionImpl< Q, NDIM > &other, const R beta, const bool fence=true)
merge the trees of this and other, while multiplying them with the alpha or beta, resp
Definition funcimpl.h:1325
const Tensor< double > & get_cell() const
return the simulation cell
Definition funcimpl.h:1470
void halo_clear() const
Discard the neighbor halo, freeing the staged coefficients.
Definition funcimpl.h:1039
std::shared_ptr< FunctionFunctorInterface< T, NDIM > > get_functor()
Definition mraimpl.h:300
double do_apply_directed_screening(const opT *op, const keyT &key, const coeffT &coeff, const bool &do_kernel)
apply an operator on the coeffs c (at node key)
Definition funcimpl.h:5270
tensorT unfilter(const tensorT &s) const
Transform sums+differences at level n to sum coefficients at level n+1.
Definition mraimpl.h:1195
int get_initial_level() const
getter
Definition funcimpl.h:992
Tensor< T > eval_plot_cube(const coordT &plotlo, const coordT &plothi, const std::vector< long > &npt, const bool eval_refine=false) const
Definition mraimpl.h:3562
virtual ~FunctionImpl()
Definition funcimpl.h:1199
Vector< Translation, NDIM > tranT
Type of array holding translation.
Definition funcimpl.h:978
void change_tree_state(const TreeState finalstate, bool fence=true)
change the tree state of this function, might or might not respect fence!
Definition mraimpl.h:1421
Future< coeffT > truncate_reconstructed_spawn(const keyT &key, const double tol)
truncate using a tree in reconstructed form
Definition mraimpl.h:1614
GenTensor< Q > coeffs2values(const keyT &key, const GenTensor< Q > &coeff) const
Definition funcimpl.h:1906
FunctionImpl(const FunctionFactory< T, NDIM > &factory)
Initialize function impl from data in factory.
Definition funcimpl.h:1088
void map_and_mirror(const implT &f, const std::vector< long > &map, const std::vector< long > &mirror, bool fence)
map and mirror the translation index and the coefficients, result on this
Definition mraimpl.h:1090
Timer timer_lr_result
Definition funcimpl.h:1080
void gaxpy(T alpha, const FunctionImpl< L, NDIM > &left, T beta, const FunctionImpl< R, NDIM > &right, bool fence)
Invoked by result to perform result += alpha*left+beta*right in wavelet basis.
Definition funcimpl.h:2185
void truncate(double tol, bool fence)
Truncate according to the threshold with optional global fence.
Definition mraimpl.h:378
void do_mul(const keyT &key, const Tensor< L > &left, const std::pair< keyT, Tensor< R > > &arg)
Functor for the mul method.
Definition funcimpl.h:2110
void copy_remote_coeffs_from_pid(const ProcessID pid, const FunctionImpl< Q, NDIM > &other)
Definition funcimpl.h:1264
void project_out2(const FunctionImpl< T, LDIM+NDIM > *f, const FunctionImpl< T, LDIM > *g, const int dim)
project the low-dim function g on the hi-dim function f: this(x) = <f(x,y) | g(y)>
Definition funcimpl.h:7284
double do_apply_kernel2(const opT *op, const Tensor< R > &c, const do_op_args< OPDIM > &args, const TensorArgs &apply_targs)
same as do_apply_kernel, but use full rank tensors as input and low rank tensors as output
Definition funcimpl.h:4941
static Tensor< TENSOR_RESULT_TYPE(T, R)> dot_local(const std::vector< const FunctionImpl< T, NDIM > * > &left, const std::vector< const FunctionImpl< R, NDIM > * > &right, bool sym)
Definition funcimpl.h:6294
Tensor< Q > coeffs2values(const keyT &key, const Tensor< Q > &coeff) const
Definition funcimpl.h:2032
Tensor< Q > values2coeffs(const keyT &key, const Tensor< Q > &values) const
Definition funcimpl.h:2046
void multi_to_multi_op_values_doit(const keyT &key, const opT &op, const std::vector< implT * > &vin, std::vector< implT * > &vout)
Inplace operate on many functions (impl's) with an operator within a certain box.
Definition funcimpl.h:2956
bool is_reconstructed() const
Returns true if the function is compressed.
Definition mraimpl.h:256
void replicate(bool fence=true)
Definition funcimpl.h:1203
double norm_tree_op(const keyT &key, const std::vector< Future< double > > &v)
Definition mraimpl.h:1576
void reset_timer()
Definition mraimpl.h:366
void refine_to_common_level(const std::vector< FunctionImpl< T, NDIM > * > &v, const std::vector< tensorT > &c, const keyT key)
Refine multiple functions down to the same finest level.
Definition mraimpl.h:769
int get_k() const
Definition mraimpl.h:340
void dirac_convolution_op(const keyT &key, const nodeT &node, FunctionImpl< T, LDIM > *f) const
The operator.
Definition funcimpl.h:2251
FunctionImpl< T, NDIM > implT
Type of this class (implementation)
Definition funcimpl.h:975
void eval(const Vector< double, NDIM > &xin, const keyT &keyin, const typename Future< T >::remote_refT &ref)
Evaluate the function at a point in simulation coordinates.
Definition mraimpl.h:2916
bool truncate_op(const keyT &key, double tol, const std::vector< Future< bool > > &v)
Definition mraimpl.h:2689
void zero_norm_tree()
Definition mraimpl.h:1306
std::size_t max_local_depth() const
Returns the maximum local depth of the tree ... no communications.
Definition mraimpl.h:1871
tensorT project(const keyT &key) const
Definition mraimpl.h:2834
double thresh
Screening threshold.
Definition funcimpl.h:998
double check_symmetry_local() const
Returns some asymmetry measure ... no comms.
Definition mraimpl.h:755
Future< double > get_norm_tree_recursive(const keyT &key) const
Definition mraimpl.h:2855
bool is_redundant_after_merge() const
Returns true if the function is redundant_after_merge.
Definition mraimpl.h:268
void mulXXvec(const FunctionImpl< L, NDIM > *left, const std::vector< const FunctionImpl< R, NDIM > * > &vright, const std::vector< FunctionImpl< T, NDIM > * > &vresult, double tol, bool fence)
Definition funcimpl.h:3438
Key< NDIM > keyT
Type of key.
Definition funcimpl.h:979
friend hashT hash_value(const std::shared_ptr< FunctionImpl< T, NDIM > > impl)
Hash a shared_ptr to FunctionImpl.
Definition funcimpl.h:7452
std::vector< Vector< double, NDIM > > special_points
special points for further refinement (needed for composite functions or multiplication)
Definition funcimpl.h:1001
bool truncate_on_project
If true projection inserts at level n-1 not n.
Definition funcimpl.h:1006
AtomicInt small
Definition funcimpl.h:1084
static void do_dot_localX(const typename mapT::iterator lstart, const typename mapT::iterator lend, typename FunctionImpl< R, NDIM >::mapT *rmap_ptr, const bool sym, Tensor< TENSOR_RESULT_TYPE(T, R)> *result_ptr, Mutex *mutex)
Definition funcimpl.h:6191
bool is_on_demand() const
Definition mraimpl.h:283
double err_box(const keyT &key, const nodeT &node, const opT &func, int npt, const Tensor< double > &qx, const Tensor< double > &quad_phit, const Tensor< double > &quad_phiw) const
Returns the square of the error norm in the box labeled by key.
Definition funcimpl.h:5667
void accumulate_timer(const double time) const
Definition mraimpl.h:352
void trickle_down_op(const keyT &key, const coeffT &s)
sum all the contributions from all scales after applying an operator in mod-NS form
Definition mraimpl.h:1379
static void do_inner_localX(const typename mapT::iterator lstart, const typename mapT::iterator lend, typename FunctionImpl< R, NDIM >::mapT *rmap_ptr, const bool sym, Tensor< TENSOR_RESULT_TYPE(T, R) > *result_ptr, Mutex *mutex)
Definition funcimpl.h:6110
void mulXXveca(const keyT &key, const FunctionImpl< L, NDIM > *left, const Tensor< L > &lcin, const std::vector< const FunctionImpl< R, NDIM > * > vrightin, const std::vector< Tensor< R > > &vrcin, const std::vector< FunctionImpl< T, NDIM > * > vresultin, double tol)
Definition funcimpl.h:3043
void set_thresh(double value)
Definition mraimpl.h:331
Tensor< double > print_plane_local(const int xaxis, const int yaxis, const coordT &el2)
collect the data for a plot of the MRA structure locally on each node
Definition mraimpl.h:423
void sock_it_to_me_too(const keyT &key, const RemoteReference< FutureImpl< std::pair< keyT, coeffT > > > &ref) const
Definition mraimpl.h:2894
void broaden_op(const keyT &key, const std::vector< Future< bool > > &v)
Definition mraimpl.h:1295
void print_plane(const std::string filename, const int xaxis, const int yaxis, const coordT &el2)
Print a plane ("xy", "xz", or "yz") containing the point x to file.
Definition mraimpl.h:403
void print_tree(std::ostream &os=std::cout, Level maxlevel=10000) const
Definition mraimpl.h:2717
void project_refine_op(const keyT &key, bool do_refine, const std::vector< Vector< double, NDIM > > &specialpts)
Definition mraimpl.h:2500
void scale_oop(const Q q, const FunctionImpl< F, NDIM > &f, bool fence)
Out-of-place scale by a constant.
Definition funcimpl.h:7419
T typeT
Definition funcimpl.h:974
std::size_t tree_size() const
Returns the size of the tree structure of the function ... collective global sum.
Definition mraimpl.h:1911
ConcurrentHashMap< keyT, mapvecT > mapT
Type of the map returned by make_key_vec_map.
Definition funcimpl.h:6038
void add_scalar_inplace(T t, bool fence)
Adds a constant to the function. Local operation, optional fence.
Definition mraimpl.h:2581
void forward_traverse(const coeff_opT &coeff_op, const apply_opT &apply_op, const keyT &key) const
traverse a non-existing tree
Definition funcimpl.h:3892
tensorT downsample(const keyT &key, const std::vector< Future< coeffT > > &v) const
downsample the sum coefficients of level n+1 to sum coeffs on level n
Definition mraimpl.h:1215
void abs_square_inplace(bool fence)
Definition mraimpl.h:3268
FunctionImpl(const FunctionImpl< Q, NDIM > &other, const std::shared_ptr< WorldDCPmapInterface< Key< NDIM > > > &pmap, bool dozero)
Copy constructor.
Definition funcimpl.h:1154
void refine(const opT &op, bool fence)
Definition funcimpl.h:4752
static mapT make_key_vec_map(const std::vector< const FunctionImpl< T, NDIM > * > &v)
Returns map of union of local keys to vector of indexes of functions containing that key.
Definition funcimpl.h:6059
void put_in_box(ProcessID from, long nl, long ni) const
Definition mraimpl.h:824
void unary_op_value_inplace(const opT &op, bool fence)
Definition funcimpl.h:3023
std::pair< const keyT, nodeT > datumT
Type of entry in container.
Definition funcimpl.h:983
Timer timer_accumulate
Definition funcimpl.h:1078
TensorArgs get_tensor_args() const
Definition mraimpl.h:322
void unaryXXa(const keyT &key, const FunctionImpl< Q, NDIM > *func, const opT &op)
Definition funcimpl.h:3356
void make_Vphi_only(const opT &leaf_op, FunctionImpl< T, NDIM > *ket, FunctionImpl< T, LDIM > *v1, FunctionImpl< T, LDIM > *v2, FunctionImpl< T, LDIM > *p1, FunctionImpl< T, LDIM > *p2, FunctionImpl< T, NDIM > *eri, const bool fence=true)
assemble the function V*phi using V and phi given from the functor
Definition funcimpl.h:4567
void average(const implT &rhs)
take the average of two functions, similar to: this=0.5*(this+rhs)
Definition mraimpl.h:1102
void recursive_apply(opT &apply_op, const FunctionImpl< T, LDIM > *fimpl, const FunctionImpl< T, LDIM > *gimpl, const bool fence)
traverse a non-existing tree, make its coeffs and apply an operator
Definition funcimpl.h:5420
void diff(const DerivativeBase< T, NDIM > *D, const implT *f, bool fence)
Definition mraimpl.h:955
void square_inplace(bool fence)
Pointwise squaring of function with optional global fence.
Definition mraimpl.h:3257
void remove_internal_coefficients(const bool fence)
Definition mraimpl.h:1538
void compute_snorm_and_dnorm(bool fence=true)
compute norm of s and d coefficients for all nodes
Definition mraimpl.h:1145
std::vector< unsigned char > serialize_remote_coeffs()
invoked by copy_remote_coeffs_from_pid to serialize local coeffs
Definition funcimpl.h:1276
long box_leaf[1000]
Definition funcimpl.h:3453
void standard(bool fence)
Changes non-standard compressed form to standard compressed form.
Definition mraimpl.h:1794
void multiop_values_doit(const keyT &key, const opT &op, const std::vector< implT * > &v)
Definition funcimpl.h:2914
bool is_nonstandard_with_leaves() const
Definition mraimpl.h:278
GenTensor< Q > values2NScoeffs(const keyT &key, const GenTensor< Q > &values) const
convert function values of the a child generation directly to NS coeffs
Definition funcimpl.h:2007
int truncate_mode
0=default=(|d|<thresh), 1=(|d|<thresh/2^n), 2=(|d|<thresh/4^n);
Definition funcimpl.h:1004
void multiop_values(const opT &op, const std::vector< implT * > &v)
Definition funcimpl.h:2931
GenTensor< Q > NScoeffs2values(const keyT &key, const GenTensor< Q > &coeff, const bool s_only) const
convert S or NS coeffs to values on a 2k grid of the children
Definition funcimpl.h:1922
static std::enable_if_t< std::is_floating_point_v< Real >, Real > conj(const Real x)
Definition funcimpl.h:6231
FunctionNode holds the coefficients, etc., at each node of the 2^NDIM-tree.
Definition funcimpl.h:136
FunctionNode< Q, NDIM > convert() const
Copy with possible type conversion of coefficients, copying all other state.
Definition funcimpl.h:204
GenTensor< T > coeffT
Definition funcimpl.h:138
bool has_coeff() const
Returns true if there are coefficients in this node.
Definition funcimpl.h:210
void recompute_snorm_and_dnorm(const FunctionCommonData< T, NDIM > &cdata)
Definition funcimpl.h:355
FunctionNode(const coeffT &coeff, bool has_children=false)
Constructor from given coefficients with optional children.
Definition funcimpl.h:166
FunctionNode()
Default constructor makes node without coeff or children.
Definition funcimpl.h:156
void serialize(Archive &ar)
Definition funcimpl.h:478
double _dnorm_tree
norm of the difference coefficients summed up the tree
Definition funcimpl.h:147
void consolidate_buffer(const TensorArgs &args)
Definition funcimpl.h:464
double get_dnorm() const
return the precomputed norm of the (virtual) d coefficients
Definition funcimpl.h:336
size_t size() const
Returns the number of coefficients in this node.
Definition funcimpl.h:252
void set_has_children_recursive(const typename FunctionNode< T, NDIM >::dcT &c, const Key< NDIM > &key)
Sets has_children attribute to true recurring up to ensure connected.
Definition funcimpl.h:269
FunctionNode< T, NDIM > & operator=(const FunctionNode< T, NDIM > &other)
Definition funcimpl.h:186
FunctionNode(const coeffT &coeff, double norm_tree, double dnorm_tree, double snorm, double dnorm, bool has_children)
Definition funcimpl.h:176
double snorm
norm of the s coefficients
Definition funcimpl.h:151
void clear_coeff()
Clears the coefficients (has_coeff() will subsequently return false)
Definition funcimpl.h:305
Tensor< T > tensorT
Definition funcimpl.h:139
coeffT buffer
The coefficients, if any.
Definition funcimpl.h:149
T trace_conj(const FunctionNode< T, NDIM > &rhs) const
Definition funcimpl.h:473
void scale(Q a)
Scale the coefficients of this node.
Definition funcimpl.h:311
bool is_leaf() const
Returns true if this does not have children.
Definition funcimpl.h:223
void set_has_children(bool flag)
Sets has_children attribute to value of flag.
Definition funcimpl.h:264
void accumulate(const coeffT &t, const typename FunctionNode< T, NDIM >::dcT &c, const Key< NDIM > &key, const TensorArgs &args)
Accumulate inplace and if necessary connect node to parent.
Definition funcimpl.h:436
double get_norm_tree() const
Gets the value of norm_tree.
Definition funcimpl.h:326
bool _has_children
True if there are children.
Definition funcimpl.h:148
void set_snorm(const double sn)
set the precomputed norm of the (virtual) s coefficients
Definition funcimpl.h:341
coeffT _coeffs
The coefficients, if any.
Definition funcimpl.h:145
void accumulate2(const tensorT &t, const typename FunctionNode< T, NDIM >::dcT &c, const Key< NDIM > &key)
Accumulate inplace and if necessary connect node to parent.
Definition funcimpl.h:403
void reduceRank(const double &eps)
reduces the rank of the coefficients (if applicable)
Definition funcimpl.h:259
WorldContainer< Key< NDIM >, FunctionNode< T, NDIM > > dcT
Definition funcimpl.h:154
void gaxpy_inplace(const T &alpha, const FunctionNode< Q, NDIM > &other, const R &beta)
General bi-linear operation — this = this*alpha + other*beta.
Definition funcimpl.h:385
double get_dnorm_tree() const
Gets the value of dnorm_tree.
Definition funcimpl.h:331
double _norm_tree
After norm_tree will contain norm of sum coefficients summed up tree.
Definition funcimpl.h:146
void set_is_leaf(bool flag)
Sets has_children attribute to value of !flag.
Definition funcimpl.h:290
void print_json(std::ostream &s) const
Definition funcimpl.h:487
double get_snorm() const
get the precomputed norm of the (virtual) s coefficients
Definition funcimpl.h:351
void set_dnorm_tree(double dnorm_tree)
Sets the value of dnorm_tree.
Definition funcimpl.h:321
const coeffT & coeff() const
Returns a const reference to the tensor containing the coeffs.
Definition funcimpl.h:247
FunctionNode(const coeffT &coeff, double norm_tree, bool has_children)
Definition funcimpl.h:171
bool has_children() const
Returns true if this node has children.
Definition funcimpl.h:217
void set_coeff(const coeffT &coeffs)
Takes a shallow copy of the coeff — same as this->coeff()=coeff.
Definition funcimpl.h:295
void set_dnorm(const double dn)
set the precomputed norm of the (virtual) d coefficients
Definition funcimpl.h:346
double dnorm
norm of the d coefficients, also defined if there are no d coefficients
Definition funcimpl.h:150
bool is_invalid() const
Returns true if this node is invalid (no coeffs and no children)
Definition funcimpl.h:229
FunctionNode(const FunctionNode< T, NDIM > &other)
Definition funcimpl.h:180
coeffT & coeff()
Returns a non-const reference to the tensor containing the coeffs.
Definition funcimpl.h:237
void set_norm_tree(double norm_tree)
Sets the value of norm_tree.
Definition funcimpl.h:316
Implements the functionality of futures.
Definition future.h:75
A future is a possibly yet unevaluated value.
Definition future.h:370
remote_refT remote_ref(World &world) const
Returns a structure used to pass references to another process.
Definition future.h:672
RemoteReference< FutureImpl< T > > remote_refT
Definition future.h:395
Definition lowranktensor.h:59
bool is_of_tensortype(const TensorType &tt) const
Definition gentensor.h:225
GenTensor convert(const TensorArgs &) const
Definition gentensor.h:198
long dim(const int i) const
return the number of entries in dimension i
Definition lowranktensor.h:391
Tensor< T > full_tensor_copy() const
Definition gentensor.h:206
long ndim() const
Definition lowranktensor.h:386
constexpr bool is_full_tensor() const
Definition gentensor.h:224
void add_SVD(const GenTensor< T > &rhs, const double &)
Definition gentensor.h:235
const Tensor< T > & get_tensor() const
Definition gentensor.h:203
void reduce_rank(const double &)
Definition gentensor.h:217
bool has_no_data() const
Definition gentensor.h:211
void normalize()
Definition gentensor.h:218
GenTensor< T > & emul(const GenTensor< T > &other)
Inplace multiply by corresponding elements of argument Tensor.
Definition lowranktensor.h:637
float_scalar_type normf() const
Definition lowranktensor.h:406
double svd_normf() const
Definition gentensor.h:213
SRConf< T > config() const
Definition gentensor.h:237
long rank() const
Definition gentensor.h:212
const Tensor< T > & full_tensor() const
Definition gentensor.h:200
long size() const
Definition lowranktensor.h:488
SVDTensor< T > & get_svdtensor()
Definition gentensor.h:228
TensorType tensor_type() const
Definition gentensor.h:221
bool has_data() const
Definition gentensor.h:210
Tensor< T > reconstruct_tensor() const
Definition gentensor.h:199
GenTensor & gaxpy(const T alpha, const GenTensor &other, const T beta)
Definition lowranktensor.h:586
bool is_assigned() const
Definition gentensor.h:209
IsSupported< TensorTypeData< Q >, GenTensor< T > & >::type scale(Q fac)
Inplace multiplication by scalar of supported type (legacy name)
Definition lowranktensor.h:426
constexpr bool is_svd_tensor() const
Definition gentensor.h:222
Definition worldhashmap.h:330
Iterates in lexical order thru all children of a key.
Definition key.h:548
Key is the index for a node of the 2^NDIM-tree.
Definition key.h:70
Key< NDIM+LDIM > merge_with(const Key< LDIM > &rhs) const
merge with other key (ie concatenate), use level of rhs, not of this
Definition key.h:487
Level level() const
Definition key.h:169
bool is_valid() const
Checks if a key is valid.
Definition key.h:124
hashT hash() const
Definition key.h:158
Key< NDIM-VDIM > extract_complement_key(const std::array< int, VDIM > &v) const
extract a new key with the Translations complementary to the ones indicated in the v array
Definition key.h:473
Key< VDIM > extract_key(const std::array< int, VDIM > &v) const
extract a new key with the Translations indicated in the v array
Definition key.h:465
Key parent(int generation=1) const
Returns the key of the parent.
Definition key.h:290
const Vector< Translation, NDIM > & translation() const
Definition key.h:174
void break_apart(Key< LDIM > &key1, Key< KDIM > &key2) const
break key into two low-dimensional keys
Definition key.h:424
A pmap that locates children on odd levels with their even level parents.
Definition funcimpl.h:105
LevelPmap(World &world)
Definition funcimpl.h:111
const int nproc
Definition funcimpl.h:107
LevelPmap()
Definition funcimpl.h:109
ProcessID owner(const keyT &key) const
Find the owner of a given key.
Definition funcimpl.h:114
Mutex using pthread mutex operations.
Definition worldmutex.h:131
void unlock() const
Free a mutex owned by this thread.
Definition worldmutex.h:165
void lock() const
Acquire the mutex waiting if necessary.
Definition worldmutex.h:155
Range, vaguely a la Intel TBB, to encapsulate a random-access, STL-like start and end iterator with c...
Definition range.h:64
Simple structure used to manage references/pointers to remote instances.
Definition worldref.h:395
Definition SVDTensor.h:42
A simple process map.
Definition funcimpl.h:86
SimplePmap(World &world)
Definition funcimpl.h:92
const int nproc
Definition funcimpl.h:88
const ProcessID me
Definition funcimpl.h:89
ProcessID owner(const keyT &key) const
Maps key to processor.
Definition funcimpl.h:95
A slice defines a sub-range or patch of a dimension.
Definition slice.h:103
static TaskAttributes hipri()
Definition thread.h:456
Traits class to specify support of numeric types.
Definition type_data.h:56
A tensor is a multidimensional array.
Definition tensor.h:318
float_scalar_type normf() const
Returns the Frobenius norm of the tensor.
Definition tensor.h:1727
Tensor< T > & gaxpy(T alpha, const Tensor< T > &other, T beta)
Inplace generalized saxpy ... this = this*alpha + other*beta.
Definition tensor.h:1806
T sum() const
Returns the sum of all elements of the tensor.
Definition tensor.h:1663
Tensor< T > reshape(int ndimnew, const long *d)
Returns new view/tensor reshaping size/number of dimensions to conforming tensor.
Definition tensor.h:1385
T * ptr()
Returns a pointer to the internal data.
Definition tensor.h:1841
Tensor< T > mapdim(const std::vector< long > &map)
Returns new view/tensor permuting the dimensions.
Definition tensor.h:1625
IsSupported< TensorTypeData< Q >, Tensor< T > & >::type scale(Q x)
Inplace multiplication by scalar of supported type (legacy name)
Definition tensor.h:687
Tensor< T > & emul(const Tensor< T > &t)
Inplace multiply by corresponding elements of argument Tensor.
Definition tensor.h:1800
bool has_data() const
Definition tensor.h:1903
Tensor< T > fusedim(long i)
Returns new view/tensor fusing contiguous dimensions i and i+1.
Definition tensor.h:1588
Tensor< T > flat()
Returns new view/tensor rehshaping to flat (1-d) tensor.
Definition tensor.h:1556
Tensor< T > & conj()
Inplace complex conjugate.
Definition tensor.h:717
Definition function_common_data.h:169
void accumulate(const double time) const
accumulate timer
Definition function_common_data.h:183
A simple, fixed dimension vector.
Definition vector.h:64
Makes a distributed container with specified attributes.
Definition worlddc.h:1231
void process_pending()
Process pending messages.
Definition worlddc.h:1574
bool find(accessor &acc, const keyT &key)
Write access to LOCAL value by key. Returns true if found, false otherwise (always false for remote).
Definition worlddc.h:1395
bool probe(const keyT &key) const
Returns true if local data is immediately available (no communication)
Definition worlddc.h:1432
iterator begin()
Returns an iterator to the beginning of the local data (no communication)
Definition worlddc.h:1478
bool is_replicated() const
Definition worlddc.h:1331
ProcessID owner(const keyT &key) const
Returns processor that logically owns key (no communication)
Definition worlddc.h:1442
implT::const_iterator const_iterator
Definition worlddc.h:1239
void replicate(bool fence=true)
replicates this WorldContainer on all ProcessIDs
Definition worlddc.h:1353
void erase(const keyT &key)
Erases entry from container (non-blocking comm if remote)
Definition worlddc.h:1513
void replace(const pairT &datum)
Inserts/replaces key+value pair (non-blocking communication if key not local)
Definition worlddc.h:1382
iterator end()
Returns an iterator past the end of the local data (no communication)
Definition worlddc.h:1492
const std::shared_ptr< WorldDCPmapInterface< keyT > > & get_pmap() const
Returns shared pointer to the process mapping.
Definition worlddc.h:1550
bool insert(accessor &acc, const keyT &key)
Write access to LOCAL value by key. Returns true if inserted, false if already exists (throws if remo...
Definition worlddc.h:1409
bool is_distributed() const
Definition worlddc.h:1327
implT::iterator iterator
Definition worlddc.h:1238
std::size_t size() const
Returns the number of local entries (no communication)
Definition worlddc.h:1543
Future< REMFUTURE(MEMFUN_RETURNT(memfunT))> task(const keyT &key, memfunT memfun, const TaskAttributes &attr=TaskAttributes())
Adds task "resultT memfun()" in process owning item (non-blocking comm if remote)
Definition worlddc.h:1834
bool is_local(const keyT &key) const
Returns true if the key maps to the local processor (no communication)
Definition worlddc.h:1449
bool is_host_replicated() const
Definition worlddc.h:1335
Future< MEMFUN_RETURNT(memfunT)> send(const keyT &key, memfunT memfun)
Sends message "resultT memfun()" to item (non-blocking comm if remote)
Definition worlddc.h:1591
void replicate_on_hosts(bool fence=true)
replicates this WorldContainer on all hosts (one PID per host)
Definition worlddc.h:1359
implT::accessor accessor
Definition worlddc.h:1240
Interface to be provided by any process map.
Definition worlddc.h:125
void fence(bool debug=false)
Synchronizes all processes in communicator AND globally ensures no pending AM or tasks.
Definition worldgop.cc:176
Implements most parts of a globally addressable object (via unique ID).
Definition world_object.h:491
void process_pending()
To be called from derived constructor to process pending messages.
Definition world_object.h:787
ProcessID me
Rank of self.
Definition world_object.h:514
detail::task_result_type< memfnT >::futureT send(ProcessID dest, memfnT memfn) const
Definition world_object.h:858
detail::task_result_type< memfnT >::futureT task(ProcessID dest, memfnT memfn, const TaskAttributes &attr=TaskAttributes()) const
Sends task to derived class method returnT (this->*memfn)().
Definition world_object.h:1132
Future< bool > for_each(const rangeT &range, const opT &op)
Apply op(item) on all items in range.
Definition world_task_queue.h:572
void add(TaskInterface *t)
Add a new local task, taking ownership of the pointer.
Definition world_task_queue.h:466
Future< resultT > reduce(const rangeT &range, const opT &op)
Reduce op(item) for all items in range using op(sum,op(item)).
Definition world_task_queue.h:527
A parallel world class.
Definition world.h:134
static World * world_from_id(std::uint64_t id)
Convert a World ID to a World pointer.
Definition world.h:516
WorldTaskQueue & taskq
Task queue.
Definition world.h:215
std::vector< uniqueidT > get_object_ids() const
Returns a vector of all unique IDs in this World.
Definition world.h:492
ProcessID rank() const
Returns the process rank in this World (same as MPI_Comm_rank()).
Definition world.h:344
static std::vector< unsigned long > get_world_ids()
return a vector containing all world ids
Definition world.h:500
ProcessID size() const
Returns the number of processes in this World (same as MPI_Comm_size()).
Definition world.h:354
unsigned long id() const
Definition world.h:324
WorldGopInterface & gop
Global operations.
Definition world.h:216
std::optional< T * > ptr_from_id(uniqueidT id) const
Look up a local pointer from a world-wide unique ID.
Definition world.h:440
ProcessID random_proc()
Returns a random process number; that is, an integer in [0,world.size()).
Definition world.h:615
Wraps an archive around an STL vector for output.
Definition vector_archive.h:55
Wrapper for an opaque pointer for serialization purposes.
Definition archive.h:851
syntactic sugar for std::array<bool, N>
Definition array_of_bools.h:19
Class for unique global IDs.
Definition uniqueid.h:53
unsigned long get_obj_id() const
Access the object ID.
Definition uniqueid.h:97
unsigned long get_world_id() const
Access the World ID.
Definition uniqueid.h:90
static const double R
Definition csqrt.cc:46
double(* f1)(const coord_3d &)
Definition derivatives.cc:55
char * p(char *buf, const char *name, int k, int initial_level, double thresh, int order)
Definition derivatives.cc:72
static double lo
Definition dirac-hatom.cc:23
@ upper
Definition dirac-hatom.cc:15
Provides FunctionDefaults and utilities for coordinate transformation.
archive_array< unsigned char > wrap_opaque(const T *, unsigned int)
Factory function to wrap a pointer to contiguous data as an opaque (uchar) archive_array.
Definition archive.h:926
Tensor< typename Tensor< T >::scalar_type > arg(const Tensor< T > &t)
Return a new tensor holding the argument of each element of t (complex types only)
Definition tensor.h:2643
Tensor< TENSOR_RESULT_TYPE(T, Q) > & fast_transform(const Tensor< T > &t, const Tensor< Q > &c, Tensor< TENSOR_RESULT_TYPE(T, Q) > &result, Tensor< TENSOR_RESULT_TYPE(T, Q) > &workspace)
Restricted but heavily optimized form of transform()
Definition tensor.h:2460
const double beta
Definition gygi_soltion.cc:62
static const double v
Definition hatom_sf_dirac.cc:20
Tensor< double > op(const Tensor< double > &x)
Definition kain.cc:508
Multidimension Key for MRA tree and associated iterators.
static double pow(const double *a, const double *b)
Definition lda.h:74
#define MADNESS_CHECK(condition)
Check a condition — even in a release build the condition is always evaluated so it can have side eff...
Definition madness_exception.h:182
#define MADNESS_EXCEPTION(msg, value)
Macro for throwing a MADNESS exception.
Definition madness_exception.h:119
#define MADNESS_ASSERT(condition)
Assert a condition that should be free of side-effects since in release builds this might be a no-op.
Definition madness_exception.h:134
#define MADNESS_CHECK_THROW(condition, msg)
Check a condition — even in a release build the condition is always evaluated so it can have side eff...
Definition madness_exception.h:207
Header to declare stuff which has not yet found a home.
constexpr double pi
Mathematical constant .
Definition constants.h:48
MemFuncWrapper< objT *, memfnT, typename result_of< memfnT >::type > wrap_mem_fn(objT &obj, memfnT memfn)
Create a member function wrapper (MemFuncWrapper) from an object and a member function pointer.
Definition mem_func_wrapper.h:251
void combine_hash(hashT &seed, hashT hash)
Internal use only.
Definition worldhash.h:248
Namespace for all elements and tools of MADNESS.
Definition DFParameters.h:13
std::ostream & operator<<(std::ostream &os, const particle< PDIM > &p)
Definition lowrankfunction.h:401
static const char * filename
Definition legendre.cc:96
static const std::vector< Slice > ___
Entire dimension.
Definition slice.h:124
static double cpu_time()
Returns the cpu time in seconds relative to an arbitrary origin.
Definition timers.h:128
GenTensor< TENSOR_RESULT_TYPE(R, Q)> general_transform(const GenTensor< R > &t, const Tensor< Q > c[])
Definition gentensor.h:274
bool nearlyEqual(double a, double b, double epsilon=1e-9)
Definition numerics.cc:11
void finalize()
Call this once at the very end of your main program instead of MPI_Finalize().
Definition world.cc:246
void norm_tree(World &world, const std::vector< Function< T, NDIM > > &v, bool fence=true)
Makes the norm tree for all functions in a vector.
Definition vmra.h:1306
std::vector< Function< TENSOR_RESULT_TYPE(T, R), NDIM > > transform(World &world, const std::vector< Function< T, NDIM > > &v, const Tensor< R > &c, bool fence=true)
Transforms a vector of functions according to new[i] = sum[j] old[j]*c[j,i].
Definition vmra.h:758
TreeState
Definition funcdefaults.h:59
@ nonstandard_after_apply
s and d coeffs, state after operator application
Definition funcdefaults.h:64
@ redundant_after_merge
s coeffs everywhere, must be summed up to yield the result
Definition funcdefaults.h:66
@ reconstructed
s coeffs at the leaves only
Definition funcdefaults.h:60
@ nonstandard
s and d coeffs in internal nodes
Definition funcdefaults.h:62
@ redundant
s coeffs everywhere
Definition funcdefaults.h:65
static Tensor< double > weights[max_npt+1]
Definition legendre.cc:99
int64_t Translation
Definition key.h:58
Key< NDIM > displacement(const Key< NDIM > &source, const Key< NDIM > &target)
given a source and a target, return the displacement in translation
Definition key.h:533
static const Slice _(0,-1, 1)
std::shared_ptr< FunctionFunctorInterface< double, 3 > > func(new opT(g))
int Level
Definition key.h:59
std::enable_if< std::is_base_of< ProjectorBase, projT >::value, OuterProjector< projT, projQ > >::type outer(const projT &p0, const projQ &p1)
Definition projector.h:457
static constexpr double NORM_TREE_UNCOMPUTED
Definition funcimpl.h:127
int RandomValue< int >()
Random int.
Definition ran.cc:250
bool has_data(const PropertyResults &p)
Definition Results.h:413
static constexpr double MUL_SCREENING_SAFETY
Definition funcimpl.h:132
static double pop(std::vector< double > &v)
Definition SCF.cc:117
void print(const T &t, const Ts &... ts)
Print items to std::cout (items separated by spaces) and terminate with a new line.
Definition print.h:227
Tensor< T > fcube(const Key< NDIM > &, T(*f)(const Vector< double, NDIM > &), const Tensor< double > &)
Definition mraimpl.h:2175
TensorType
low rank representations of tensors (see gentensor.h)
Definition gentensor.h:120
@ TT_2D
Definition gentensor.h:120
@ TT_FULL
Definition gentensor.h:120
NDIM & f
Definition mra.h:2620
void error(const char *msg)
Definition world.cc:147
NDIM const Function< R, NDIM > & g
Definition mra.h:2620
std::size_t hashT
The hash value type.
Definition worldhash.h:145
void change_tensor_type(GenTensor< T > &, const TensorArgs &targs)
change representation to targ.tt
Definition gentensor.h:284
static const int kmax
Definition twoscale.cc:52
GenTensor< TENSOR_RESULT_TYPE(R, Q)> transform_dir(const GenTensor< R > &t, const Tensor< Q > &c, const int axis)
Definition lowranktensor.h:1106
Function< T, CCPairFunction< T, NDIM >::LDIM > inner(const CCPairFunction< T, NDIM > &c, const Function< T, CCPairFunction< T, NDIM >::LDIM > &f, const std::tuple< int, int, int > v1, const std::tuple< int, int, int > v2)
Definition ccpairfunction.h:993
void scale(World &world, std::vector< Function< T, NDIM > > &v, const std::vector< Q > &factors, bool fence=true)
Scales inplace a vector of functions by distinct values.
Definition vmra.h:874
std::string name(const FuncType &type, const int ex=-1)
Definition ccpairfunction.h:28
void mxmT(long dimi, long dimj, long dimk, T *MADNESS_RESTRICT c, const T *a, const T *b)
Matrix += Matrix * matrix transpose ... MKL interface version.
Definition mxm.h:225
Function< T, NDIM > copy(const Function< T, NDIM > &f, const std::shared_ptr< WorldDCPmapInterface< Key< NDIM > > > &pmap, bool fence=true)
Create a new copy of the function with different distribution and optional fence.
Definition mra.h:2185
static const int MAXK
The maximum wavelet order presently supported.
Definition funcdefaults.h:54
static long abs(long a)
Definition tensor.h:219
const double cc
Definition navstokes_cosines.cc:107
static const double b
Definition nonlinschro.cc:119
static const double d
Definition nonlinschro.cc:121
static const double a
Definition nonlinschro.cc:118
Defines simple templates for printing to std::cout "a la Python".
double Q(double a)
Definition relops.cc:20
static const double c
Definition relops.cc:10
static const double L
Definition rk.cc:46
static const double thresh
Definition rk.cc:45
Definition test_ar.cc:204
Key parent() const
Definition test_tree.cc:68
hashT hash() const
Definition test_dc.cc:54
Definition test_ccpairfunction.cc:22
given a ket and the 1- and 2-electron potentials, construct the function V phi
Definition funcimpl.h:4227
implT * result
where to construct Vphi, no need to track parents
Definition funcimpl.h:4235
bool have_v2() const
Definition funcimpl.h:4244
ctL iav1
Definition funcimpl.h:4239
Vphi_op_NS(implT *result, const opT &leaf_op, const ctT &iaket, const ctL &iap1, const ctL &iap2, const ctL &iav1, const ctL &iav2, const implT *eri)
Definition funcimpl.h:4253
ctL iap1
Definition funcimpl.h:4238
bool have_v1() const
Definition funcimpl.h:4243
std::pair< bool, coeffT > continue_recursion(const std::vector< bool > child_is_leaf, const tensorT &coeffs, const keyT &key) const
loop over all children and either insert their sum coeffs or continue the recursion
Definition funcimpl.h:4319
opT leaf_op
deciding if a given FunctionNode will be a leaf node
Definition funcimpl.h:4236
std::pair< coeffT, double > make_sum_coeffs(const keyT &key) const
make the sum coeffs for key
Definition funcimpl.h:4412
CoeffTracker< T, NDIM > ctT
Definition funcimpl.h:4232
ctL iap2
the particles 1 and 2 (exclusive with ket)
Definition funcimpl.h:4238
bool have_ket() const
Definition funcimpl.h:4242
const implT * eri
2-particle potential, must be on-demand
Definition funcimpl.h:4240
CoeffTracker< T, LDIM > ctL
Definition funcimpl.h:4233
std::pair< bool, coeffT > operator()(const Key< NDIM > &key) const
make and insert the coefficients into result's tree
Definition funcimpl.h:4264
void serialize(const Archive &ar)
serialize this (needed for use in recursive_op)
Definition funcimpl.h:4493
Vphi_op_NS< opT, LDIM > this_type
Definition funcimpl.h:4231
ctT iaket
the ket of a pair function (exclusive with p1, p2)
Definition funcimpl.h:4237
double compute_error_from_inaccurate_refinement(const keyT &key, const tensorT &ceri) const
the error is computed from the d coefficients of the constituent functions
Definition funcimpl.h:4365
void accumulate_into_result(const Key< NDIM > &key, const coeffT &coeff) const
Definition funcimpl.h:4247
this_type make_child(const keyT &child) const
Definition funcimpl.h:4464
tensorT eri_coeffs(const keyT &key) const
Definition funcimpl.h:4345
ctL iav2
potentials for particles 1 and 2
Definition funcimpl.h:4239
bool have_eri() const
Definition funcimpl.h:4245
this_type forward_ctor(implT *result1, const opT &leaf_op, const ctT &iaket1, const ctL &iap11, const ctL &iap21, const ctL &iav11, const ctL &iav21, const implT *eri1)
Definition funcimpl.h:4486
Vphi_op_NS()
Definition funcimpl.h:4252
Future< this_type > activate() const
Definition funcimpl.h:4475
bool randomize() const
Definition funcimpl.h:4229
add two functions f and g: result=alpha * f + beta * g
Definition funcimpl.h:3737
bool randomize() const
Definition funcimpl.h:3742
Future< this_type > activate() const
retrieve the coefficients (parent coeffs might be remote)
Definition funcimpl.h:3772
add_op(const ctT &f, const ctT &g, const double alpha, const double beta)
Definition funcimpl.h:3750
ctT f
tracking coeffs of first and second addend
Definition funcimpl.h:3745
double alpha
prefactor for f, g
Definition funcimpl.h:3747
add_op this_type
Definition funcimpl.h:3740
CoeffTracker< T, NDIM > ctT
Definition funcimpl.h:3739
void serialize(const Archive &ar)
Definition funcimpl.h:3784
ctT g
Definition funcimpl.h:3745
std::pair< bool, coeffT > operator()(const keyT &key) const
if we are at the bottom of the trees, return the sum of the coeffs
Definition funcimpl.h:3754
double beta
Definition funcimpl.h:3747
this_type make_child(const keyT &child) const
Definition funcimpl.h:3767
this_type forward_ctor(const ctT &f1, const ctT &g1, const double alpha, const double beta)
taskq-compatible ctor
Definition funcimpl.h:3780
Definition funcimpl.h:3323
opT op
Definition funcimpl.h:3326
opT::resultT resultT
Definition funcimpl.h:3324
Tensor< resultT > operator()(const Key< NDIM > &key, const Tensor< Q > &t) const
Definition funcimpl.h:3333
coeff_value_adaptor(const FunctionImpl< Q, NDIM > *impl_func, const opT &op)
Definition funcimpl.h:3329
const FunctionImpl< Q, NDIM > * impl_func
Definition funcimpl.h:3325
coeff_value_adaptor()=default
void serialize(Archive &ar)
Definition funcimpl.h:3342
merge the coefficent boxes of this into result's tree
Definition funcimpl.h:2539
Range< typename dcT::const_iterator > rangeT
Definition funcimpl.h:2540
do_accumulate_trees()=default
void serialize(const Archive &ar)
Definition funcimpl.h:2557
FunctionImpl< Q, NDIM > * result
Definition funcimpl.h:2541
do_accumulate_trees(FunctionImpl< Q, NDIM > &result, const T alpha)
Definition funcimpl.h:2544
T alpha
Definition funcimpl.h:2542
bool operator()(typename rangeT::iterator &it) const
return the norm of the difference of this node and its "mirror" node
Definition funcimpl.h:2548
"put" this on g
Definition funcimpl.h:2750
Range< typename dcT::const_iterator > rangeT
Definition funcimpl.h:2751
void serialize(const Archive &ar)
Definition funcimpl.h:2779
implT * g
Definition funcimpl.h:2753
do_average()
Definition funcimpl.h:2755
bool operator()(typename rangeT::iterator &it) const
iterator it points to this
Definition funcimpl.h:2759
do_average(implT &g)
Definition funcimpl.h:2756
change representation of nodes' coeffs to low rank, optional fence
Definition funcimpl.h:2783
Range< typename dcT::iterator > rangeT
Definition funcimpl.h:2784
void serialize(const Archive &ar)
Definition funcimpl.h:2807
TensorArgs targs
Definition funcimpl.h:2787
do_change_tensor_type(const TensorArgs &targs, implT &g)
Definition funcimpl.h:2793
bool operator()(typename rangeT::iterator &it) const
Definition funcimpl.h:2796
implT * f
Definition funcimpl.h:2788
do_change_tensor_type()=default
check symmetry wrt particle exchange
Definition funcimpl.h:2456
Range< typename dcT::const_iterator > rangeT
Definition funcimpl.h:2457
double operator()(typename rangeT::iterator &it) const
return the norm of the difference of this node and its "mirror" node
Definition funcimpl.h:2463
do_check_symmetry_local()
Definition funcimpl.h:2459
void serialize(const Archive &ar)
Definition funcimpl.h:2526
double operator()(double a, double b) const
Definition funcimpl.h:2522
do_check_symmetry_local(const implT &f)
Definition funcimpl.h:2460
const implT * f
Definition funcimpl.h:2458
compute the norm of the wavelet coefficients
Definition funcimpl.h:4634
Range< typename dcT::iterator > rangeT
Definition funcimpl.h:4635
bool operator()(typename rangeT::iterator &it) const
Definition funcimpl.h:4641
do_compute_snorm_and_dnorm(const FunctionCommonData< T, NDIM > &cdata)
Definition funcimpl.h:4638
const FunctionCommonData< T, NDIM > & cdata
Definition funcimpl.h:4637
Definition funcimpl.h:2810
TensorArgs targs
Definition funcimpl.h:2814
do_consolidate_buffer()=default
bool operator()(typename rangeT::iterator &it) const
Definition funcimpl.h:2819
Range< typename dcT::iterator > rangeT
Definition funcimpl.h:2811
do_consolidate_buffer(const TensorArgs &targs)
Definition funcimpl.h:2818
void serialize(const Archive &ar)
Definition funcimpl.h:2823
Definition funcimpl.h:1569
double operator()(double val) const
Definition funcimpl.h:1575
double limit
Definition funcimpl.h:1570
do_convert_to_color(const double limit, const bool log)
Definition funcimpl.h:1574
bool log
Definition funcimpl.h:1571
do_convert_to_color()=default
static double lower()
Definition funcimpl.h:1572
compute the inner product of this range with other
Definition funcimpl.h:5976
do_dot_local(const FunctionImpl< R, NDIM > *other, const bool leaves_only)
Definition funcimpl.h:5981
bool leaves_only
Definition funcimpl.h:5978
typedef TENSOR_RESULT_TYPE(T, R) resultT
resultT operator()(resultT a, resultT b) const
Definition funcimpl.h:6009
const FunctionImpl< R, NDIM > * other
Definition funcimpl.h:5977
void serialize(const Archive &ar)
Definition funcimpl.h:6013
resultT operator()(typename dcT::const_iterator &it) const
Definition funcimpl.h:5983
functor for the gaxpy_inplace method
Definition funcimpl.h:1357
FunctionImpl< T, NDIM > * f
prefactor for current function impl
Definition funcimpl.h:1359
do_gaxpy_inplace(FunctionImpl< T, NDIM > *f, T alpha, R beta)
Definition funcimpl.h:1363
bool operator()(typename rangeT::iterator &it) const
Definition funcimpl.h:1364
R beta
prefactor for other function impl
Definition funcimpl.h:1361
void serialize(Archive &ar)
Definition funcimpl.h:1372
Range< typename FunctionImpl< Q, NDIM >::dcT::const_iterator > rangeT
Definition funcimpl.h:1358
T alpha
the current function impl
Definition funcimpl.h:1360
do_gaxpy_inplace()=default
Definition funcimpl.h:6898
const bool do_leaves
start with leaf nodes instead of initial_level
Definition funcimpl.h:6902
T operator()(T a, T b) const
Definition funcimpl.h:6920
do_inner_ext_local_ffi(const std::shared_ptr< FunctionFunctorInterface< T, NDIM > > f, const implT *impl, const bool leaf_refine, const bool do_leaves)
Definition funcimpl.h:6904
void serialize(const Archive &ar)
Definition funcimpl.h:6924
const bool leaf_refine
Definition funcimpl.h:6901
const std::shared_ptr< FunctionFunctorInterface< T, NDIM > > fref
Definition funcimpl.h:6899
T operator()(typename dcT::const_iterator &it) const
Definition funcimpl.h:6908
const implT * impl
Definition funcimpl.h:6900
compute the inner product of this range with other
Definition funcimpl.h:5839
const FunctionImpl< T, NDIM > * bra
Definition funcimpl.h:5840
void serialize(const Archive &ar)
Definition funcimpl.h:5955
const FunctionImpl< R, NDIM > * ket
Definition funcimpl.h:5841
typedef TENSOR_RESULT_TYPE(T, R) resultT
bool leaves_only
Definition funcimpl.h:5842
do_inner_local_on_demand(const FunctionImpl< T, NDIM > *bra, const FunctionImpl< R, NDIM > *ket, const bool leaves_only=true)
Definition funcimpl.h:5845
resultT operator()(resultT a, resultT b) const
Definition funcimpl.h:5951
resultT operator()(typename dcT::const_iterator &it) const
Definition funcimpl.h:5848
compute the inner product of this range with other
Definition funcimpl.h:5778
resultT operator()(resultT a, resultT b) const
Definition funcimpl.h:5811
bool leaves_only
Definition funcimpl.h:5780
void serialize(const Archive &ar)
Definition funcimpl.h:5815
do_inner_local(const FunctionImpl< R, NDIM > *other, const bool leaves_only)
Definition funcimpl.h:5783
const FunctionImpl< R, NDIM > * other
Definition funcimpl.h:5779
resultT operator()(typename dcT::const_iterator &it) const
Definition funcimpl.h:5785
typedef TENSOR_RESULT_TYPE(T, R) resultT
keep only the sum coefficients in each node
Definition funcimpl.h:2410
Range< typename dcT::iterator > rangeT
Definition funcimpl.h:2411
do_keep_sum_coeffs(implT *impl)
constructor need impl for cdata
Definition funcimpl.h:2415
implT * impl
Definition funcimpl.h:2412
void serialize(const Archive &ar)
Definition funcimpl.h:2424
bool operator()(typename rangeT::iterator &it) const
Definition funcimpl.h:2417
mirror dimensions of this, write result on f
Definition funcimpl.h:2684
do_map_and_mirror()=default
bool operator()(typename rangeT::iterator &it) const
Definition funcimpl.h:2694
implT * f
Definition funcimpl.h:2688
std::vector< long > mirror
Definition funcimpl.h:2687
void serialize(const Archive &ar)
Definition funcimpl.h:2741
Range< typename dcT::iterator > rangeT
Definition funcimpl.h:2685
std::vector< long > map
Definition funcimpl.h:2687
do_map_and_mirror(const std::vector< long > map, const std::vector< long > mirror, implT &f)
Definition funcimpl.h:2691
map this on f
Definition funcimpl.h:2604
do_mapdim(const std::vector< long > map, implT &f)
Definition funcimpl.h:2611
void serialize(const Archive &ar)
Definition funcimpl.h:2627
Range< typename dcT::iterator > rangeT
Definition funcimpl.h:2605
bool operator()(typename rangeT::iterator &it) const
Definition funcimpl.h:2613
std::vector< long > map
Definition funcimpl.h:2607
do_mapdim()
Definition funcimpl.h:2610
implT * f
Definition funcimpl.h:2608
merge the coefficient boxes of this into other's tree
Definition funcimpl.h:2568
bool operator()(typename rangeT::iterator &it) const
return the norm of the difference of this node and its "mirror" node
Definition funcimpl.h:2578
Range< typename dcT::const_iterator > rangeT
Definition funcimpl.h:2569
FunctionImpl< Q, NDIM > * other
Definition funcimpl.h:2570
do_merge_trees(const T alpha, const R beta, FunctionImpl< Q, NDIM > &other)
Definition funcimpl.h:2574
T alpha
Definition funcimpl.h:2571
do_merge_trees()
Definition funcimpl.h:2573
R beta
Definition funcimpl.h:2572
void serialize(const Archive &ar)
Definition funcimpl.h:2597
mirror dimensions of this, write result on f
Definition funcimpl.h:2634
bool operator()(typename rangeT::iterator &it) const
Definition funcimpl.h:2643
implT * f
Definition funcimpl.h:2638
Range< typename dcT::iterator > rangeT
Definition funcimpl.h:2635
do_mirror()
Definition funcimpl.h:2640
do_mirror(const std::vector< long > mirror, implT &f)
Definition funcimpl.h:2641
void serialize(const Archive &ar)
Definition funcimpl.h:2677
std::vector< long > mirror
Definition funcimpl.h:2637
Definition funcimpl.h:5751
double operator()(typename dcT::const_iterator &it) const
Definition funcimpl.h:5752
void serialize(const Archive &ar)
Definition funcimpl.h:5767
double operator()(double a, double b) const
Definition funcimpl.h:5763
laziness
Definition funcimpl.h:4893
void serialize(Archive &ar)
Definition funcimpl.h:4902
Key< OPDIM > d
Definition funcimpl.h:4894
Key< OPDIM > key
Definition funcimpl.h:4894
keyT dest
Definition funcimpl.h:4895
double fac
Definition funcimpl.h:4896
do_op_args(const Key< OPDIM > &key, const Key< OPDIM > &d, const keyT &dest, double tol, double fac, double cnorm)
Definition funcimpl.h:4899
double cnorm
Definition funcimpl.h:4896
double tol
Definition funcimpl.h:4896
reduce the rank of the nodes, optional fence
Definition funcimpl.h:2430
do_reduce_rank(const TensorArgs &targs)
Definition funcimpl.h:2438
TensorArgs args
Definition funcimpl.h:2434
bool operator()(typename rangeT::iterator &it) const
Definition funcimpl.h:2444
Range< typename dcT::iterator > rangeT
Definition funcimpl.h:2431
do_reduce_rank(const double &thresh)
Definition funcimpl.h:2439
void serialize(const Archive &ar)
Definition funcimpl.h:2450
Changes non-standard compressed form to standard compressed form.
Definition funcimpl.h:4857
bool operator()(typename rangeT::iterator &it) const
Definition funcimpl.h:4868
do_standard(implT *impl)
Definition funcimpl.h:4865
Range< typename dcT::iterator > rangeT
Definition funcimpl.h:4858
void serialize(const Archive &ar)
Definition funcimpl.h:4885
implT * impl
Definition funcimpl.h:4861
given an NS tree resulting from a convolution, truncate leafs if appropriate
Definition funcimpl.h:2351
void serialize(const Archive &ar)
Definition funcimpl.h:2371
const implT * f
Definition funcimpl.h:2353
bool operator()(typename rangeT::iterator &it) const
Definition funcimpl.h:2357
Range< typename dcT::iterator > rangeT
Definition funcimpl.h:2352
do_truncate_NS_leafs(const implT *f)
Definition funcimpl.h:2355
Definition funcimpl.h:2829
Range< typename dcT::iterator > rangeT
Definition funcimpl.h:2830
bool operator()(typename rangeT::iterator &it) const
Definition funcimpl.h:2834
implT * impl
Definition funcimpl.h:2831
void serialize(const Archive &ar)
Definition funcimpl.h:2852
opT op
Definition funcimpl.h:2832
do_unary_op_value_inplace(implT *impl, const opT &op)
Definition funcimpl.h:2833
Hartree product of two LDIM functions to yield a NDIM = 2*LDIM function.
Definition funcimpl.h:3820
this_type forward_ctor(implT *result1, const ctL &p11, const ctL &p22, const leaf_opT &leaf_op)
Definition funcimpl.h:3876
bool randomize() const
Definition funcimpl.h:3821
void serialize(const Archive &ar)
Definition funcimpl.h:3880
hartree_op(implT *result, const ctL &p11, const ctL &p22, const leaf_opT &leaf_op)
Definition funcimpl.h:3832
CoeffTracker< T, LDIM > ctL
Definition funcimpl.h:3824
ctL p2
tracking coeffs of the two lo-dim functions
Definition funcimpl.h:3827
leaf_opT leaf_op
determine if a given node will be a leaf node
Definition funcimpl.h:3828
hartree_op()
Definition funcimpl.h:3831
implT * result
where to construct the pair function
Definition funcimpl.h:3826
hartree_op< LDIM, leaf_opT > this_type
Definition funcimpl.h:3823
std::pair< bool, coeffT > operator()(const Key< NDIM > &key) const
Definition funcimpl.h:3837
ctL p1
Definition funcimpl.h:3827
this_type make_child(const keyT &child) const
Definition funcimpl.h:3860
Future< this_type > activate() const
Definition funcimpl.h:3869
perform this multiplication: h(1,2) = f(1,2) * g(1)
Definition funcimpl.h:3628
multiply_op()
Definition funcimpl.h:3640
ctL g
Definition funcimpl.h:3637
Future< this_type > activate() const
Definition funcimpl.h:3719
CoeffTracker< T, LDIM > ctL
Definition funcimpl.h:3632
implT * h
the result function h(1,2) = f(1,2) * g(1)
Definition funcimpl.h:3635
CoeffTracker< T, NDIM > ctT
Definition funcimpl.h:3631
std::pair< bool, coeffT > operator()(const Key< NDIM > &key) const
apply this on a FunctionNode of f and g of Key key
Definition funcimpl.h:3667
this_type forward_ctor(implT *h1, const ctT &f1, const ctL &g1, const int particle)
Definition funcimpl.h:3726
static bool randomize()
Definition funcimpl.h:3630
int particle
if g is g(1) or g(2)
Definition funcimpl.h:3638
ctT f
Definition funcimpl.h:3636
multiply_op< LDIM > this_type
Definition funcimpl.h:3633
multiply_op(implT *h1, const ctT &f1, const ctL &g1, const int particle1)
Definition funcimpl.h:3642
bool screen(const coeffT &fcoeff, const coeffT &gcoeff, const keyT &key) const
return true if this will be a leaf node
Definition funcimpl.h:3648
this_type make_child(const keyT &child) const
Definition funcimpl.h:3709
void serialize(const Archive &ar)
Definition funcimpl.h:3730
Definition funcimpl.h:4106
coeffT val_lhs
Definition funcimpl.h:4107
double lo
Definition funcimpl.h:4110
double lo1
Definition funcimpl.h:4110
long oversampling
Definition funcimpl.h:4108
pointwise_multiplier()=default
double error
Definition funcimpl.h:4109
tensorT operator()(const Key< NDIM > key, const tensorT &coeff_rhs)
multiply values of rhs and lhs, result on rhs, rhs and lhs are of the same dimensions
Definition funcimpl.h:4125
coeffT coeff_lhs
Definition funcimpl.h:4107
void serialize(const Archive &ar)
Definition funcimpl.h:4213
double lo2
Definition funcimpl.h:4110
double hi1
Definition funcimpl.h:4110
pointwise_multiplier(const Key< NDIM > key, const coeffT &clhs)
Definition funcimpl.h:4113
coeffT operator()(const Key< NDIM > key, const tensorT &coeff_rhs, const int particle)
multiply values of rhs and lhs, result on rhs, rhs and lhs are of differnet dimensions
Definition funcimpl.h:4170
double hi2
Definition funcimpl.h:4110
double hi
Definition funcimpl.h:4110
project the low-dim function g on the hi-dim function f: result(x) = <f(x,y) | g(y)>
Definition funcimpl.h:7164
project_out_op(const implT *fimpl, implL1 *result, const ctL &iag, const int dim)
Definition funcimpl.h:7179
ctL iag
the low dim function g
Definition funcimpl.h:7174
FunctionImpl< T, NDIM-LDIM > implL1
Definition funcimpl.h:7169
Future< this_type > activate() const
retrieve the coefficients (parent coeffs might be remote)
Definition funcimpl.h:7258
std::pair< bool, coeffT > argT
Definition funcimpl.h:7170
const implT * fimpl
the hi dim function f
Definition funcimpl.h:7172
this_type forward_ctor(const implT *fimpl1, implL1 *result1, const ctL &iag1, const int dim1)
taskq-compatible ctor
Definition funcimpl.h:7265
this_type make_child(const keyT &child) const
Definition funcimpl.h:7249
project_out_op< LDIM > this_type
Definition funcimpl.h:7167
implL1 * result
the low dim result function
Definition funcimpl.h:7173
Future< argT > operator()(const Key< NDIM > &key) const
do the actual contraction
Definition funcimpl.h:7186
void serialize(const Archive &ar)
Definition funcimpl.h:7269
project_out_op(const project_out_op &other)
Definition funcimpl.h:7181
int dim
0: project 0..LDIM-1, 1: project LDIM..NDIM-1
Definition funcimpl.h:7175
bool randomize() const
Definition funcimpl.h:7165
CoeffTracker< T, LDIM > ctL
Definition funcimpl.h:7168
recursive part of recursive_apply
Definition funcimpl.h:5578
ctT iaf
Definition funcimpl.h:5586
recursive_apply_op2< opT > this_type
Definition funcimpl.h:5581
Future< this_type > activate() const
retrieve the coefficients (parent coeffs might be remote)
Definition funcimpl.h:5641
const opT * apply_op
need this for randomization
Definition funcimpl.h:5587
bool randomize() const
Definition funcimpl.h:5579
recursive_apply_op2(const recursive_apply_op2 &other)
Definition funcimpl.h:5594
void serialize(const Archive &ar)
Definition funcimpl.h:5657
argT finalize(const double kernel_norm, const keyT &key, const coeffT &coeff, const implT *r) const
sole purpose is to wait for the kernel norm, wrap it and send it back to caller
Definition funcimpl.h:5627
this_type make_child(const keyT &child) const
Definition funcimpl.h:5636
recursive_apply_op2()=default
recursive_apply_op2(implT *result, const ctT &iaf, const opT *apply_op)
Definition funcimpl.h:5591
std::pair< bool, coeffT > argT
Definition funcimpl.h:5583
implT * result
Definition funcimpl.h:5585
CoeffTracker< T, NDIM > ctT
Definition funcimpl.h:5582
argT operator()(const Key< NDIM > &key) const
send off the application of the operator
Definition funcimpl.h:5603
this_type forward_ctor(implT *result1, const ctT &iaf1, const opT *apply_op1)
taskq-compatible ctor
Definition funcimpl.h:5653
recursive part of recursive_apply
Definition funcimpl.h:5447
std::pair< bool, coeffT > operator()(const Key< NDIM > &key) const
make the NS-coefficients and send off the application of the operator
Definition funcimpl.h:5472
this_type forward_ctor(implT *r, const CoeffTracker< T, LDIM > &f1, const CoeffTracker< T, LDIM > &g1, const opT *apply_op1)
Definition funcimpl.h:5537
opT * apply_op
Definition funcimpl.h:5455
recursive_apply_op(const recursive_apply_op &other)
Definition funcimpl.h:5465
recursive_apply_op< opT, LDIM > this_type
Definition funcimpl.h:5450
Future< this_type > activate() const
Definition funcimpl.h:5530
bool randomize() const
Definition funcimpl.h:5448
implT * result
Definition funcimpl.h:5452
CoeffTracker< T, LDIM > iaf
Definition funcimpl.h:5453
void serialize(const Archive &ar)
Definition funcimpl.h:5542
recursive_apply_op()=default
std::pair< bool, coeffT > finalize(const double kernel_norm, const keyT &key, const coeffT &coeff) const
sole purpose is to wait for the kernel norm, wrap it and send it back to caller
Definition funcimpl.h:5512
recursive_apply_op(implT *result, const CoeffTracker< T, LDIM > &iaf, const CoeffTracker< T, LDIM > &iag, const opT *apply_op)
Definition funcimpl.h:5459
this_type make_child(const keyT &child) const
Definition funcimpl.h:5521
CoeffTracker< T, LDIM > iag
Definition funcimpl.h:5454
remove all coefficients of internal nodes
Definition funcimpl.h:2376
Range< typename dcT::iterator > rangeT
Definition funcimpl.h:2377
remove_internal_coeffs()=default
constructor need impl for cdata
bool operator()(typename rangeT::iterator &it) const
Definition funcimpl.h:2382
void serialize(const Archive &ar)
Definition funcimpl.h:2388
remove all coefficients of leaf nodes
Definition funcimpl.h:2393
bool operator()(typename rangeT::iterator &it) const
Definition funcimpl.h:2399
remove_leaf_coeffs()=default
constructor need impl for cdata
void serialize(const Archive &ar)
Definition funcimpl.h:2404
Range< typename dcT::iterator > rangeT
Definition funcimpl.h:2394
Definition funcimpl.h:4706
void serialize(Archive &ar)
Definition funcimpl.h:4710
bool operator()(const implT *f, const keyT &key, const nodeT &t) const
Definition funcimpl.h:4707
shallow-copy, pared-down version of FunctionNode, for special purpose only
Definition funcimpl.h:772
coeffT & coeff()
Definition funcimpl.h:786
GenTensor< T > coeffT
Definition funcimpl.h:773
bool is_leaf() const
Definition funcimpl.h:788
void serialize(Archive &ar)
Definition funcimpl.h:790
ShallowNode(const ShallowNode< T, NDIM > &node)
Definition funcimpl.h:781
ShallowNode(const FunctionNode< T, NDIM > &node)
Definition funcimpl.h:778
bool has_children() const
Definition funcimpl.h:787
ShallowNode()
Definition funcimpl.h:777
bool _has_children
Definition funcimpl.h:775
double dnorm
Definition funcimpl.h:776
const coeffT & coeff() const
Definition funcimpl.h:785
coeffT _coeffs
Definition funcimpl.h:774
TensorArgs holds the arguments for creating a LowRankTensor.
Definition gentensor.h:134
double thresh
Definition gentensor.h:135
TensorType tt
Definition gentensor.h:136
const uniqueidT & id() const
Returns the globally unique object ID.
Definition world_object.h:424
inserts/accumulates coefficients into impl's tree
Definition funcimpl.h:739
FunctionImpl< T, NDIM > * impl
Definition funcimpl.h:743
FunctionNode< T, NDIM > nodeT
Definition funcimpl.h:741
accumulate_op(const accumulate_op &other)=default
void operator()(const Key< NDIM > &key, const coeffT &coeff, const bool &is_leaf) const
Definition funcimpl.h:747
void serialize(Archive &ar)
Definition funcimpl.h:751
GenTensor< T > coeffT
Definition funcimpl.h:740
accumulate_op(FunctionImpl< T, NDIM > *f)
Definition funcimpl.h:745
static void load(const Archive &ar, FunctionImpl< T, NDIM > *&ptr)
Definition funcimpl.h:7491
static void load(const Archive &ar, const FunctionImpl< T, NDIM > *&ptr)
Definition funcimpl.h:7460
static void load(const Archive &ar, std::shared_ptr< FunctionImpl< T, NDIM > > &ptr)
Definition funcimpl.h:7542
static void load(const Archive &ar, std::shared_ptr< const FunctionImpl< T, NDIM > > &ptr)
Definition funcimpl.h:7526
Default load of an object via serialize(ar, t).
Definition archive.h:667
static void load(const A &ar, const U &t)
Load an object.
Definition archive.h:679
static void store(const Archive &ar, FunctionImpl< T, NDIM > *const &ptr)
Definition funcimpl.h:7516
static void store(const Archive &ar, const FunctionImpl< T, NDIM > *const &ptr)
Definition funcimpl.h:7482
static void store(const Archive &ar, const std::shared_ptr< FunctionImpl< T, NDIM > > &ptr)
Definition funcimpl.h:7551
static void store(const Archive &ar, const std::shared_ptr< const FunctionImpl< T, NDIM > > &ptr)
Definition funcimpl.h:7535
Default store of an object via serialize(ar, t).
Definition archive.h:612
static std::enable_if_t< is_output_archive_v< A > &&!std::is_function< U >::value &&(has_member_serialize_v< U, A >||has_nonmember_serialize_v< U, A >||has_freestanding_serialize_v< U, A >||has_freestanding_default_serialize_v< U, A >), void > store(const A &ar, const U &t)
Definition archive.h:622
Definition funcimpl.h:633
void serialize(Archive &ar)
Definition funcimpl.h:697
const opT * op
Definition funcimpl.h:640
hartree_convolute_leaf_op(const implT *f, const implL *g, const opT *op)
Definition funcimpl.h:644
bool operator()(const Key< NDIM > &key) const
no pre-determination
Definition funcimpl.h:648
hartree_convolute_leaf_op()=default
bool operator()(const Key< NDIM > &key, const Tensor< T > &fcoeff, const Tensor< T > &gcoeff) const
post-determination: true if f is a leaf and the result is well-represented
Definition funcimpl.h:661
const implL * g
Definition funcimpl.h:639
const FunctionImpl< T, NDIM > * f
Definition funcimpl.h:638
FunctionImpl< T, LDIM > implL
Definition funcimpl.h:636
bool do_error_leaf_op() const
Definition funcimpl.h:641
FunctionImpl< T, NDIM > implT
Definition funcimpl.h:635
bool operator()(const Key< NDIM > &key, const GenTensor< T > &coeff) const
no post-determination
Definition funcimpl.h:651
returns true if the result of a hartree_product is a leaf node (compute norm & error)
Definition funcimpl.h:523
hartree_leaf_op()=default
bool do_error_leaf_op() const
Definition funcimpl.h:528
const FunctionImpl< T, NDIM > * f
Definition funcimpl.h:526
hartree_leaf_op(const implT *f, const long &k)
Definition funcimpl.h:531
long k
Definition funcimpl.h:527
void serialize(Archive &ar)
Definition funcimpl.h:579
bool operator()(const Key< NDIM > &key, const GenTensor< T > &coeff) const
no post-determination
Definition funcimpl.h:537
bool operator()(const Key< NDIM > &key, const Tensor< T > &fcoeff, const Tensor< T > &gcoeff) const
post-determination: true if f is a leaf and the result is well-represented
Definition funcimpl.h:547
bool operator()(const Key< NDIM > &key) const
no pre-determination
Definition funcimpl.h:534
FunctionImpl< T, NDIM > implT
Definition funcimpl.h:525
insert/replaces the coefficients into the function
Definition funcimpl.h:715
insert_op()
Definition funcimpl.h:722
implT * impl
Definition funcimpl.h:721
void operator()(const keyT &key, const coeffT &coeff, const bool &is_leaf) const
Definition funcimpl.h:725
FunctionNode< T, NDIM > nodeT
Definition funcimpl.h:719
Key< NDIM > keyT
Definition funcimpl.h:717
insert_op(const insert_op &other)
Definition funcimpl.h:724
FunctionImpl< T, NDIM > implT
Definition funcimpl.h:716
GenTensor< T > coeffT
Definition funcimpl.h:718
insert_op(implT *f)
Definition funcimpl.h:723
void serialize(Archive &ar)
Definition funcimpl.h:729
Definition funcimpl.h:703
bool operator()(const Key< NDIM > &key, const GenTensor< T > &fcoeff, const GenTensor< T > &gcoeff) const
Definition funcimpl.h:705
void serialize(Archive &ar)
Definition funcimpl.h:709
void operator()(const Key< NDIM > &key, const GenTensor< T > &coeff, const bool &is_leaf) const
Definition funcimpl.h:704
Definition funcimpl.h:587
bool operator()(const Key< NDIM > &key, const double &cnorm) const
post-determination: return true if operator and coefficient norms are small
Definition funcimpl.h:608
void serialize(Archive &ar)
Definition funcimpl.h:623
const implT * f
the source or result function, needed for truncate_tol
Definition funcimpl.h:591
op_leaf_op(const opT *op, const implT *f)
Definition funcimpl.h:595
FunctionImpl< T, NDIM > implT
Definition funcimpl.h:588
const opT * op
the convolution operator
Definition funcimpl.h:590
bool do_error_leaf_op() const
Definition funcimpl.h:592
bool operator()(const Key< NDIM > &key) const
pre-determination: we can't know if this will be a leaf node before we got the final coeffs
Definition funcimpl.h:598
bool operator()(const Key< NDIM > &key, const GenTensor< T > &coeff) const
post-determination: return true if operator and coefficient norms are small
Definition funcimpl.h:601
Definition lowrankfunction.h:336
Definition funcimpl.h:759
void serialize(Archive &ar)
Definition funcimpl.h:766
bool operator()(const Key< NDIM > &key, const T &t, const R &r) const
Definition funcimpl.h:765
bool operator()(const Key< NDIM > &key, const T &t) const
Definition funcimpl.h:762
int np
Definition tdse1d.cc:165
static const double s0
Definition tdse4.cc:83
Defines and implements most of Tensor.
#define ITERATOR(t, exp)
Definition tensor_macros.h:249
#define IND
Definition tensor_macros.h:204
#define TERNARY_OPTIMIZED_ITERATOR(X, x, Y, y, Z, z, exp)
Definition tensor_macros.h:719
AtomicInt sum
Definition test_atomicint.cc:46
double norm(const T i1)
Definition test_cloud.cc:85
int task(int i)
Definition test_runtime.cpp:4
void e()
Definition test_sig.cc:75
static double g1(const Vector< double, D > &r)
Definition test_state_archive_hdf5.cpp:34
static const double alpha
Definition testcosine.cc:10
const double offset
Definition testfuns.cc:143
constexpr std::size_t NDIM
Definition testgconv.cc:54
double h(const coord_1d &r)
Definition testgconv.cc:175
std::size_t axis
Definition testpdiff.cc:59
double source(const coordT &r)
Definition testperiodic.cc:48
#define TENSOR_RESULT_TYPE(L, R)
This macro simplifies access to TensorResultType.
Definition type_data.h:205
#define PROFILE_MEMBER_FUNC(classname)
Definition worldprofile.h:210
#define PROFILE_BLOCK(name)
Definition worldprofile.h:208
int ProcessID
Used to clearly identify process number/rank.
Definition worldtypes.h:43