LCAO_set_fs.cpp File Reference

#include "source_lcao/LCAO_domain.h"

Include dependency graph for LCAO_set_fs.cpp:

Namespaces
namespace	LCAO_domain

Functions
void	LCAO_domain::set_force (const Parallel_Orbitals &pv, const int &iw1_all, const int &iw2_all, const double &vx, const double &vy, const double &vz, const char &dtype, double *dsloc_x, double *dsloc_y, double *dsloc_z, double *dhloc_fixed_x, double *dhloc_fixed_y, double *dhloc_fixed_z)
	set the elements of force-related matrices in LCAO method
void	LCAO_domain::set_stress (const Parallel_Orbitals &pv, const int &iw1_all, const int &iw2_all, const double &vx, const double &vy, const double &vz, const char &dtype, const ModuleBase::Vector3< double > &dtau, double *dsloc_11, double *dsloc_12, double *dsloc_13, double *dsloc_22, double *dsloc_23, double *dsloc_33, double *dhloc_fixed_11, double *dhloc_fixed_12, double *dhloc_fixed_13, double *dhloc_fixed_22, double *dhloc_fixed_23, double *dhloc_fixed_33)
	set the elements of stress-related matrices in LCAO method