xyz_file_parser.h File Reference

#include "realtype.h"
#include "molecule.h"

Go to the source code of this file.

Functions

int readMoleculeFileInXyzFormat (Molecule &result, const char *fileName, int netCharge, bool expectPlainCharges)


Function Documentation

int readMoleculeFileInXyzFormat ( Molecule result,
const char *  fileName,
int  netCharge,
bool  expectPlainCharges 
)


Generated on Wed Nov 21 09:32:02 2012 for ergo by  doxygen 1.4.7