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, 5 months ago) by wdelano
File size:	309 byte(s)
Log Message:	branch created
Line	User	Rev	File contents
1	gilbertke	63	#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 );