/export/zimmerman/mjafari/ners590-project/fresh-copy/molecularGSM/GSM/knnr.cpp File Reference

#include <iostream>
#include <fstream>
#include <stdio.h>
#include "qchem.h"
#include "knnr.h"
#include "icoord.h"

Include dependency graph for knnr.cpp:

Defines
#define	MAX_GEOMS   2500
#define	FULL_RESET   1
Functions
void	print_xyz_gen (int natoms, string *anames, double *coords)

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Define Documentation

#define FULL_RESET   1

#define MAX_GEOMS   2500

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Function Documentation

void print_xyz_gen	(	int	natoms,
		string *	anames,
		double *	coords
	)