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Atomic-orbital Based Ab-initio Computation at UStc
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Namespaces | Functions
exx_pw_pot.cpp File Reference
#include "op_exx_pw.h"
#include "source_io/module_parameter/parameter.h"
#include "source_pw/module_pwdft/global.h"
Include dependency graph for exx_pw_pot.cpp:

Namespaces

namespace  hamilt
 

Functions

template<typename Real , typename Device >
void hamilt::get_exx_potential (const K_Vectors *kv, const ModulePW::PW_Basis_K *wfcpw, ModulePW::PW_Basis *rhopw_dev, Real *pot, double tpiba, bool gamma_extrapolation, double ucell_omega, int ik, int iq, bool is_stress)
 
template<typename Real , typename Device >
void hamilt::get_exx_stress_potential (const K_Vectors *kv, const ModulePW::PW_Basis_K *wfcpw, ModulePW::PW_Basis *rhopw_dev, Real *pot, double tpiba, bool gamma_extrapolation, double ucell_omega, int ik, int iq)
 
double hamilt::exx_divergence (Conv_Coulomb_Pot_K::Coulomb_Type coulomb_type, double erfc_omega, const K_Vectors *kv, const ModulePW::PW_Basis_K *wfcpw, ModulePW::PW_Basis *rhopw_dev, double tpiba, bool gamma_extrapolation, double ucell_omega)
 
template void hamilt::get_exx_potential< float, base_device::DEVICE_CPU > (const K_Vectors *, const ModulePW::PW_Basis_K *, ModulePW::PW_Basis *, float *, double, bool, double, int, int, bool)
 
template void hamilt::get_exx_potential< double, base_device::DEVICE_CPU > (const K_Vectors *, const ModulePW::PW_Basis_K *, ModulePW::PW_Basis *, double *, double, bool, double, int, int, bool)
 
template void hamilt::get_exx_stress_potential< float, base_device::DEVICE_CPU > (const K_Vectors *, const ModulePW::PW_Basis_K *, ModulePW::PW_Basis *, float *, double, bool, double, int, int)
 
template void hamilt::get_exx_stress_potential< double, base_device::DEVICE_CPU > (const K_Vectors *, const ModulePW::PW_Basis_K *, ModulePW::PW_Basis *, double *, double, bool, double, int, int)