surchem Member List

This is the complete list of members for surchem, including all inherited members.

Acav	surchem	static
Ael	surchem	static
allocate(const int &nrxx, const int &nspin)	surchem
cal_Acav(const UnitCell &cell, const int &nxyz)	surchem
cal_Acomp(const UnitCell &cell, const ModulePW::PW_Basis *rho_basis, const double *const *const rho, std::vector< double > &res)	surchem
cal_Ael(const UnitCell &cell, const int &nrxx, const int &nxyz)	surchem
cal_epsilon(const ModulePW::PW_Basis *rho_basis, const double *PS_TOTN_real, double *epsilon, double *epsilon0)	surchem
cal_force_sol(const UnitCell &cell, const ModulePW::PW_Basis *rho_basis, const ModuleBase::matrix &vloc, ModuleBase::matrix &forcesol)	surchem
cal_pseudo(const UnitCell &cell, const Parallel_Grid &pgrid, const ModulePW::PW_Basis *rho_basis, const std::complex< double > *Porter_g, std::complex< double > *PS_TOTN, Structure_Factor *sf)	surchem
cal_totn(const UnitCell &cell, const ModulePW::PW_Basis *rho_basis, const std::complex< double > *Porter_g, std::complex< double > *N, std::complex< double > *TOTN, const double *vlocal)	surchem
cal_vcav(const UnitCell &ucell, const ModulePW::PW_Basis *rho_basis, std::complex< double > *PS_TOTN, int nspin)	surchem
cal_vel(const UnitCell &cell, const ModulePW::PW_Basis *rho_basis, std::complex< double > *TOTN, std::complex< double > *PS_TOTN, int nspin)	surchem
clear()	surchem
createcavity(const UnitCell &ucell, const ModulePW::PW_Basis *rho_basis, const std::complex< double > *PS_TOTN, double *vwork)	surchem
delta_phi	surchem
epspot	surchem
force_cor_one(const UnitCell &cell, const ModulePW::PW_Basis *rho_basis, const ModuleBase::matrix &vloc, ModuleBase::matrix &forcesol)	surchem
force_cor_two(const UnitCell &cell, const ModulePW::PW_Basis *rho_basis, ModuleBase::matrix &forcesol)	surchem
gauss_charge(const UnitCell &cell, const Parallel_Grid &pgrid, const ModulePW::PW_Basis *rho_basis, std::complex< double > *N, Structure_Factor *sf)	surchem
get_totn_reci(const UnitCell &cell, const ModulePW::PW_Basis *rho_basis, std::complex< double > *totn_reci)	surchem
GetAtom	surchem
induced_charge(const UnitCell &cell, const ModulePW::PW_Basis *rho_basis, double *induced_rho) const	surchem
Leps2(const UnitCell &ucell, const ModulePW::PW_Basis *rho_basis, std::complex< double > *phi, double *epsilon, std::complex< double > *gradphi_x, std::complex< double > *gradphi_y, std::complex< double > *gradphi_z, std::complex< double > *phi_work, std::complex< double > *lp)	surchem
minimize_cg(const UnitCell &ucell, const ModulePW::PW_Basis *rho_basis, double *d_eps, const std::complex< double > *tot_N, std::complex< double > *phi, int &ncgsol)	surchem
qs	surchem
surchem()	surchem
test_V_to_N(ModuleBase::matrix &v, const UnitCell &cell, const ModulePW::PW_Basis *rho_basis, const double *const *const rho)	surchem
TOTN_real	surchem
v_correction(const UnitCell &cell, const Parallel_Grid &pgrid, const ModulePW::PW_Basis *rho_basis, const int &nspin, const double *const *const rho, const double *vlocal, Structure_Factor *sf)	surchem
Vcav	surchem
Vel	surchem
~surchem()	surchem