deepks_spre.cpp File Reference

#include "deepks_spre.h"
#include "deepks_iterate.h"
#include "source_base/constants.h"
#include "source_base/libm/libm.h"
#include "source_base/parallel_reduce.h"
#include "source_base/timer.h"
#include "source_base/vector3.h"
#include "source_lcao/module_hcontainer/atom_pair.h"
#include "source_io/module_parameter/parameter.h"

Include dependency graph for deepks_spre.cpp:

Functions
template void	DeePKS_domain::cal_gdmepsl< std::complex< double > > (const int lmaxd, const int inlmax, const int nks, const std::vector< ModuleBase::Vector3< double > > &kvec_d, std::vector< hamilt::HContainer< double > * > phialpha, const ModuleBase::IntArray *inl_index, const hamilt::HContainer< double > *dmr, const UnitCell &ucell, const LCAO_Orbitals &orb, const Parallel_Orbitals &pv, const Grid_Driver &GridD, torch::Tensor &gdmepsl)

Function Documentation

DeePKS_domain::cal_gdmepsl< std::complex< double > >()

template void DeePKS_domain::cal_gdmepsl< std::complex< double > >	(	const int	lmaxd,
		const int	inlmax,
		const int	nks,
		const std::vector< ModuleBase::Vector3< double > > &	kvec_d,
		std::vector< hamilt::HContainer< double > * >	phialpha,
		const ModuleBase::IntArray *	inl_index,
		const hamilt::HContainer< double > *	dmr,
		const UnitCell &	ucell,
		const LCAO_Orbitals &	orb,
		const Parallel_Orbitals &	pv,
		const Grid_Driver &	GridD,
		torch::Tensor &	gdmepsl
	)