ergo
xyz_file_parser.h File Reference
#include "realtype.h"
#include "molecule.h"

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Functions

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

Function Documentation

◆ readMoleculeFileInXyzFormat()

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