distpm.cc File Reference

#include <madness/madness_config.h>
#include <madness/mra/mra.h>
#include <madness/mra/lbdeux.h>
#include <madness/world/MADworld.h>
#include <madness/misc/ran.h>
#include <madness/tensor/tensor.h>
#include <madness/tensor/systolic.h>
#include <madness/chem/distpm.h>
#include <utility>
#include <vector>

Include dependency graph for distpm.cc:

Classes
class	madness::SystolicFixOrbitalOrders
class	madness::SystolicPMOrbitalLocalize

Namespaces
	madness
	File holds all helper structures necessary for the CC_Operator and CC2 class.

Macros
#define	NTHREAD   ThreadPool::size()+1

Typedefs
typedef Tensor< double >	madness::tensorT

Functions
DistributedMatrix< double >	madness::distributed_localize_PM (World &world, const vecfuncT &mo, const vecfuncT &ao, const std::vector< int > &set, const std::vector< int > &at_to_bf, const std::vector< int > &at_nbf, const double thresh, const double thetamax, const bool randomize, const bool doprint)
void	madness::drot (long n, double *MADNESS_RESTRICT a, double *MADNESS_RESTRICT b, double s, double c, long inc)
	Simple (?) version of BLAS-1 DROT(N, DX, INCX, DY, INCY, DC, DS) More...
template<typename T , std::size_t NDIM>
void	madness::matrix_inner (DistributedMatrix< T > &A, const std::vector< Function< T, NDIM > > &f, const std::vector< Function< T, NDIM > > &g, bool sym=false)
static double	madness::PM_q (const tensorT &S, const double *MADNESS_RESTRICT Ci, const double *MADNESS_RESTRICT Cj, int lo, int nbf)

Macro Definition Documentation

NTHREAD

#define NTHREAD   ThreadPool::size()+1