coulmat.h Source File

LibRPA: coulmat.h Source File
LibRPA
coulmat.h
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1 
5 #pragma once
6 #include "ri.h"
7 
17 atpair_R_mat_t FT_Vq(const atpair_k_cplx_mat_t &coulmat,
18  vector<Vector3_Order<int>> Rlist,
19  bool return_ordered_atom_pair);
Vector3_Order
Definition: vector3_order.h:15
FT_Vq
atpair_R_mat_t FT_Vq(const atpair_k_cplx_mat_t &coulmat, vector< Vector3_Order< int >> Rlist, bool return_ordered_atom_pair)
perform Fourier transform of q/k-space Coulomb matrix to R-space
Definition: coulmat.cpp:7
ri.h
Utilies related to resolution of identity.
atpair_R_mat_t
atom_mapping< map< Vector3_Order< int >, std::shared_ptr< matrix > > >::pair_t_old atpair_R_mat_t
type alias of atom-pair mapping to real matrix indexed by unit-cell vector
Definition: ri.h:39
atpair_k_cplx_mat_t
atom_mapping< map< Vector3_Order< double >, std::shared_ptr< ComplexMatrix > > >::pair_t_old atpair_k_cplx_mat_t
type alias of atom-pair mapping to complex matrix indexed by reciprocal vector
Definition: ri.h:43
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