MADNESS 0.10.1
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struct | LBCost |
struct | true_op |
class | YetAnotherWrapperClass |
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void | distances (const coord_6d &r, double &r1, double &r2, double &r12) |
double | energy (World &world, const real_function_6d &psi) |
static double | f6d (const coord_6d &r) |
int | main (int argc, char **argv) |
real_function_6d | multiply_by_V (const real_function_6d &psi) |
static double | u (double r, double c) |
static double | V (const coord_6d &r) |
Variables | |
static const double | d12cut = 0.01 |
static const double | dcut = 0.01 |
static const long | k = 6 |
static const double | L = 30.0 |
static const long | oi = 0 |
static const double | r12cut = 0.01 |
static const double | rcut = 0.01 |
static const double | thresh = 1e-4 |
static const long | vi = 1 |
void distances | ( | const coord_6d & | r, |
double & | r1, | ||
double & | r2, | ||
double & | r12 | ||
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References madness::r2().
double energy | ( | World & | world, |
const real_function_6d & | psi | ||
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References axis, d12cut, dcut, madness::inner(), k, L, multiply_by_V(), oi, madness::print(), psi(), r12cut, madness::World::rank(), rcut, thresh, and vi.
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References d12cut, dcut, distances(), MADNESS_EXCEPTION, oi, and madness::r2().
Referenced by main().
int main | ( | int | argc, |
char ** | argv | ||
) |
References madness::LoadBalanceDeux< NDIM >::add_tree(), SafeMPI::COMM_WORLD, energy, madness::FunctionFactory< T, NDIM >::f(), f6d(), madness::finalize(), madness::initialize(), k, L, madness::LoadBalanceDeux< NDIM >::load_balance(), psi(), madness::World::rank(), madness::FunctionDefaults< NDIM >::redistribute(), madness::FunctionDefaults< NDIM >::set_cubic_cell(), madness::FunctionDefaults< NDIM >::set_k(), madness::FunctionDefaults< NDIM >::set_project_randomize(), madness::FunctionDefaults< NDIM >::set_tensor_type(), madness::FunctionDefaults< NDIM >::set_thresh(), madness::FunctionDefaults< NDIM >::set_truncate_mode(), madness::FunctionDefaults< NDIM >::set_truncate_on_project(), madness::startup(), thresh, madness::TT_2D, and madness::wall_time().
real_function_6d multiply_by_V | ( | const real_function_6d & | psi | ) |
References madness::copy(), psi(), and madness::Function< T, NDIM >::unaryop().
Referenced by energy().
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References c, e(), and madness::r2().
Referenced by madness::TaskFn< fnT, arg1T, arg2T, arg3T, arg4T, arg5T, arg6T, arg7T, arg8T, arg9T >::TaskFn(), apply_potential(), applyexpLt(), applyN(), madness::Stack< T, N >::clear(), madness::TensorTrain< T >::decompose(), GygiPot::dESP_drho(), doit(), madness::CorePotential::eval(), madness::FunctionImpl< T, NDIM >::eval_cube(), madness::CorePotential::eval_derivative(), expL_double(), gesvd_(), gesvd_(), gesvd_(), gesvd_(), hamiltonian_matrix(), madness::hash_value(), hashbig(), hashlittle(), hashlittle2(), madness::CC2::iterate_lrcc2_pairs(), jacobi(), madness::jacobi(), jacobi(), Calculation::load_mos(), main(), main(), SVPESolver::make_surface_charge(), GygiPot::make_surfcharge(), SurfaceMoleculeInteraction::make_surfcharge(), moments(), madness::Stack< T, N >::move(), N_double(), normalize2(), madness::Molecule::nuclear_attraction_potential_second_derivative(), madness::CCConvolutionOperator< T, NDIM >::operator()(), madness::CCConvolutionOperator< T, NDIM >::operator()(), madness::Stack< T, N >::reset(), SVPESolver::solve(), madness::CC2::solve_mp2_coupled(), test(), test0(), test0GaussLobatto(), test1(), test_U_el(), testNavierStokes(), madness::NonlinearSolverND< NDIM >::update(), madness::XNonlinearSolver< T, C, Alloc >::update(), madness::CCPair::update_u(), V(), and GygiPot::V_epsilon().
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References distances(), MADNESS_EXCEPTION, r12cut, madness::r2(), rcut, u(), and vi.
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Referenced by energy(), f6d(), madness::Solver< T, NDIM >::initial_guess(), madness::EigSolver< T, NDIM >::matrix_element(), madness::EigSolver< T, NDIM >::multi_solve(), madness::EigSolver< T, NDIM >::prepare_ops(), madness::EigSolver< T, NDIM >::print_matrix_elements(), and madness::EigSolver< T, NDIM >::solve().
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Referenced by madness::F12Potentials::apply_regularized_potential(), madness::PNO::compute_fluctuation_matrix(), madness::F12Potentials::compute_regularized_fluctuation_matrix(), energy(), madness::response_space::operator*(), madness::response_space::operator*=(), madness::response_space::operator+(), madness::response_space::operator-(), TEST_CASE(), and V().