ergo
basis_func_extent.cc File Reference

Code for determining extent of basis functions, for 2-electron integral evaluation. More...

#include <memory.h>
#include <stdio.h>
#include <stdlib.h>
#include <math.h>
#include "basis_func_extent.h"
#include "output.h"
#include "integrals_general.h"
#include "pi.h"
#include "integrals_2el_single.h"
#include "exponent_list.h"

Functions

static ergo_real get_M (const IntegralInfo &integralInfo, const BasisInfoStruct &basisInfo)
 
static int compute_extent_for_all_basis_funcs_core (const BasisInfoStruct &basisInfo, ergo_real *basisFuncExtentList, ergo_real threshold, ExponentList exponentList, ergo_real M, ergo_real maxAbsDensMatElement)
 
int compute_extent_for_all_basis_funcs_2el (const IntegralInfo &integralInfo, const BasisInfoStruct &basisInfo, ergo_real *basisFuncExtentList, ergo_real threshold, ergo_real maxAbsDensMatElement)
 

Detailed Description

Code for determining extent of basis functions, for 2-electron integral evaluation.

Author
: Elias Rudberg responsible

Function Documentation

◆ compute_extent_for_all_basis_funcs_2el()

int compute_extent_for_all_basis_funcs_2el ( const IntegralInfo integralInfo,
const BasisInfoStruct basisInfo,
ergo_real basisFuncExtentList,
ergo_real  threshold,
ergo_real  maxAbsDensMatElement 
)

◆ compute_extent_for_all_basis_funcs_core()

◆ get_M()