mengine/src/asnsym.h

#define LINEAR     1
#define ASYMMETRIC 2
#define PROLATE    3
#define OBLATE     4
#define SPHERICAL  5
#define PLANAR     6

struct {
    int ishape,numsym,chiral;
    double xi,yi,zi;
    }  symmetry;

void ptgrp(int,char *,double **);
int findh(double **, double **, int);
int findi(double **,double **);
Revision:	93
Committed:	Sat Jan 17 23:24:55 2009 UTC (13 years, 4 months ago) by wdelano
File size:	309 byte(s)
Log Message:	branch created
Line	File contents
1	#define LINEAR 1
2	#define ASYMMETRIC 2
3	#define PROLATE 3
4	#define OBLATE 4
5	#define SPHERICAL 5
6	#define PLANAR 6
7
8	struct {
9	int ishape,numsym,chiral;
10	double xi,yi,zi;
11	} symmetry;
12
13	void ptgrp(int,char ,double *);
14	int findh(double , double , int);
15	int findi(double ,double );