ABACUS develop
Atomic-orbital Based Ab-initio Computation at UStc
Loading...
Searching...
No Matches
Classes | Namespaces | Functions
op_exx_pw.h File Reference
#include "operator_pw.h"
#include "source_base/kernels/math_kernel_op.h"
#include "source_base/macros.h"
#include "source_base/matrix.h"
#include "source_basis/module_pw/pw_basis.h"
#include "source_basis/module_pw/pw_basis_k.h"
#include "source_cell/klist.h"
#include "source_lcao/module_ri/conv_coulomb_pot_k.h"
#include "source_psi/psi.h"
#include "source_base/module_container/ATen/kernels/lapack.h"
#include <memory>
#include <utility>
#include <vector>
Include dependency graph for op_exx_pw.h:
This graph shows which files directly or indirectly include this file:

Go to the source code of this file.

Classes

class  hamilt::OperatorEXXPW< T, Device >
 

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)