source/integrals/organize_distrs_mm.h File Reference

Code for organizing a given set of primitive Gaussian distributions (typically coming from basis function products) regarding information related to multipole methods. More...

#include "organize_distrs.h"
#include "multipole.h"
#include <vector>

Go to the source code of this file.

Classes

struct  distr_org_mm_struct
struct  distr_org_mm_struct::Data
struct  distr_list_description_struct

Functions

int generate_multipoles_for_groups (const IntegralInfo &integralInfo, const distr_org_struct &org, distr_org_mm_struct &result_org_mm, ergo_real *averagePosList, int &avgPosCounter)
int get_multipole_pt_for_box (const ergo_real *boxCenterCoords, ergo_real boxWidth, const ergo_real *averagePosList, int avgPosCounter, ergo_real *resultMultipolePoint)
int translate_multipoles_for_box (distr_org_mm_struct &result_org_mm, const distr_org_struct &org, const MMTranslator &translator)
int combine_mm_info_for_child_boxes (distr_list_description_struct &result_box_branch, const distr_list_description_struct **child_box_branches, int noOfChildren, const MMTranslator &translator)

Detailed Description

Code for organizing a given set of primitive Gaussian distributions (typically coming from basis function products) regarding information related to multipole methods.

Author:
: Elias Rudberg responsible

Function Documentation

int combine_mm_info_for_child_boxes ( distr_list_description_struct result_box_branch,
const distr_list_description_struct **  child_box_branches,
int  noOfChildren,
const MMTranslator translator 
)
int generate_multipoles_for_groups ( const IntegralInfo integralInfo,
const distr_org_struct org,
distr_org_mm_struct result_org_mm,
ergo_real averagePosList,
int &  avgPosCounter 
)
int get_multipole_pt_for_box ( const ergo_real boxCenterCoords,
ergo_real  boxWidth,
const ergo_real averagePosList,
int  avgPosCounter,
ergo_real resultMultipolePoint 
)
int translate_multipoles_for_box ( distr_org_mm_struct result_org_mm,
const distr_org_struct org,
const MMTranslator translator 
)

Generated on 10 Jul 2018 for ergo by  doxygen 1.6.1