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)

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Function Documentation

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

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