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root/freemol/trunk/smi23d/src/mengine/torsions.h
Revision: 3
Committed: Mon Jun 9 21:38:26 2008 UTC (11 years, 5 months ago) by tjod
File size: 659 byte(s)
Log Message:
test

Line File contents
1 EXTERN struct t_torsions {
2 int ntor, **i14;
3 float *v1,*v2,*v3,*v4,*v5,*v6;
4 int *ph1,*ph2,*ph3,*ph4,*ph5,*ph6;
5 } torsions;
6
7 /* struct t_improp {
8 int nimprop, nimptors, iiprop[MAXTOR][4];
9 float cimp[MAXTOR],tdi[MAXTOR];
10 float v1[MAXTOR], v2[MAXTOR], v3[MAXTOR];
11 int ph1[MAXTOR], ph2[MAXTOR], ph3[MAXTOR];
12 } improp; */
13
14 /* EXTERN struct t_torsions {
15 int ntor, i14[MAXTOR][4];
16 float v1[MAXTOR],v2[MAXTOR],v3[MAXTOR],v4[MAXTOR],v5[MAXTOR],v6[MAXTOR];
17 int ph1[MAXTOR],ph2[MAXTOR],ph3[MAXTOR],ph4[MAXTOR],ph5[MAXTOR],ph6[MAXTOR];
18 } torsions; */