source/integrals/integrals_2el_J_mm_utils.cc File Reference

Utility functions related to multipole method, used in construction of the Coulomb matrix J. More...

#include "integrals_2el_J_mm_utils.h"
#include "box_system.h"

Functions

int check_if_multipoles_can_be_used (const IntegralInfo &integralInfo, ergo_real threshold, const ergo_real *boxCenterCoords_1, const ergo_real *boxCenterCoords_2, ergo_real boxWidth, const distr_org_struct &org_1, const distr_org_mm_struct &org_mm_1, const distr_org_struct &org_2, const distr_org_mm_struct &org_mm_2)
int create_list_of_multipoles_for_box (const IntegralInfo &integralInfo, const distr_org_struct &org, multipole_struct_small *result_multipoleList)

Detailed Description

Utility functions related to multipole method, used in construction of the Coulomb matrix J.

Author:
: Elias Rudberg responsible.

Function Documentation

int check_if_multipoles_can_be_used ( const IntegralInfo integralInfo,
ergo_real  threshold,
const ergo_real boxCenterCoords_1,
const ergo_real boxCenterCoords_2,
ergo_real  boxWidth,
const distr_org_struct org_1,
const distr_org_mm_struct org_mm_1,
const distr_org_struct org_2,
const distr_org_mm_struct org_mm_2 
)
int create_list_of_multipoles_for_box ( const IntegralInfo integralInfo,
const distr_org_struct org,
multipole_struct_small result_multipoleList 
)

Generated on 10 Jul 2018 for ergo by  doxygen 1.6.1