boundary_fix.cpp File Reference

#include "boundary_fix.h"
#include "source_base/libm/libm.h"
#include "source_base/constants.h"
#include "source_base/vector3.h"

Include dependency graph for boundary_fix.cpp:

Namespaces
namespace	module_rt

Functions
void	module_rt::reset_matrix_boundary (const UnitCell &ucell, const K_Vectors &kv, const Parallel_Orbitals *pv, ct::Tensor &hk_last, ct::Tensor &sk_last, psi::Psi< std::complex< double > > *psi_last, const size_t len_hs)
	Add phases to the matrix and coefficient from the previous step to correct the boundary discontinuity.
void	module_rt::boundary_shift_mat (const std::complex< double > &phase, std::complex< double > *matk, const Parallel_Orbitals *pv, const size_t iat)
	Add extra phase to the matrix element belong to iat.
void	module_rt::boundary_shift_c (const std::complex< double > &phase, std::complex< double > *psi_k_last, const Parallel_Orbitals *pv, const size_t iat)
	Add extra phase to the wfc coefficient belong to iat.