#include <stdio.h>
#include <stdlib.h>
#include <memory.h>
#include <math.h>
#include <string.h>
#include "xyz_file_parser.h"
#include "output.h"
#include "memorymanag.h"
#include "units.h"
#include "atom_labels.h"
Functions | |
int | readMoleculeFileInXyzFormat (Molecule &result, const char *fileName, int netCharge, bool expectPlainCharges) |
int readMoleculeFileInXyzFormat | ( | Molecule & | result, | |
const char * | fileName, | |||
int | netCharge, | |||
bool | expectPlainCharges | |||
) |