ao_to_mo.h File Reference

#include <ATen/core/tensor.h>
#include "source_psi/psi.h"
#include <vector>
#include "source_base/parallel_2d.h"

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Namespaces
namespace	LR

Macros
#define	MO_TYPE_H

Enumerations
enum	LR::MO_TYPE {   LR::OO , LR::VO , LR::VV , LR::OO ,   LR::VO , LR::VV }

Functions
template<typename T >
void	LR::ao_to_mo_forloop_serial (const std::vector< container::Tensor > &mat_ao, const psi::Psi< T > &coeff, const int &nocc, const int &nvirt, T *const mat_mo, const MO_TYPE type=VO)
template<typename T >
void	LR::ao_to_mo_blas (const std::vector< container::Tensor > &mat_ao, const psi::Psi< T > &coeff, const int &nocc, const int &nvirt, T *const mat_mo, const bool add_on=true, const MO_TYPE type=VO)
template<typename T >
void	LR::ao_to_mo_pblas (const std::vector< container::Tensor > &mat_ao, const Parallel_2D &pmat_ao, const psi::Psi< T > &coeff, const Parallel_2D &pcoeff, const int &naos, const int &nocc, const int &nvirt, const Parallel_2D &pmat_mo, T *const mat_mo, const bool add_on=true, const MO_TYPE type=VO)

Macro Definition Documentation

MO_TYPE_H

#define MO_TYPE_H