ergo
basisset.cc File Reference

Code for representing basis set information for Gaussian basis sets, and for parsing a text file specifying such a basisset. More...

#include <ctype.h>
#include <stdio.h>
#include <stdlib.h>
#include <memory.h>
#include <string.h>
#include <stdexcept>
#include "basisset.h"
#include "output.h"
#include "memorymanag.h"

Functions

static void remove_zeros (basisset_atom_struct *currAtom, int shellBaseIndex, int noOfShellsCurrBatch)
 
int read_basisset_file (basisset_info &result, const char *fileName, int dirc, const char *dirv[], int print_raw)
 

Detailed Description

Code for representing basis set information for Gaussian basis sets, and for parsing a text file specifying such a basisset.

Author
: Elias Rudberg responsible.

Function Documentation

◆ read_basisset_file()

◆ remove_zeros()

static void remove_zeros ( basisset_atom_struct currAtom,
int  shellBaseIndex,
int  noOfShellsCurrBatch 
)
static