ergo
integrals_2el_K_prep_groups.cc File Reference

Code for preparing basis function group information to be used for computing the Hartree-Fock exchange matrix K. More...

Functions

int prep_info_for_K (int maxCount, distr_org_struct &org, int distrCountCurrBox, const ergo_real *multipoleNormVectorList, const int *multipoleDegreeList, const ergo_real *limitingFactorList, const int *basisFuncGroupList1, const int *basisFuncGroupList2)
 

Detailed Description

Code for preparing basis function group information to be used for computing the Hartree-Fock exchange matrix K.

Author
: Elias Rudberg responsible.

Function Documentation

◆ prep_info_for_K()

int prep_info_for_K ( int  maxCount,
distr_org_struct org,
int  distrCountCurrBox,
const ergo_real multipoleNormVectorList,
const int *  multipoleDegreeList,
const ergo_real limitingFactorList,
const int *  basisFuncGroupList1,
const int *  basisFuncGroupList2 
)