basisset.cc File Reference

Code for parsing a text file specifying a basisset. More...

#include <ctype.h>
#include <stdio.h>
#include <stdlib.h>
#include <memory.h>
#include <string.h>
#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_struct *result, const char *fileName, int dirc, const char *dirv[], int print_raw)


Detailed Description

Code for parsing a text file specifying a basisset.

Author:
: Elias Rudberg responsible.

Function Documentation

int read_basisset_file ( basisset_struct result,
const char *  fileName,
int  dirc,
const char *  dirv[],
int  print_raw 
)

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


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