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root/freemol/branches/sync4pymol12/src/mengine/src/hess.h
Revision: 63
Committed: Wed Dec 3 03:46:32 2008 UTC (13 years, 6 months ago) by gilbertke
Original Path: trunk/src/mengine/src/hess.h
File size: 255 byte(s)
Log Message:
updated read_sdf type_mmx and first pass at using best practices
Line User Rev File contents
1 tjod 3
2     /* EXTERN struct t_hess {
3     double hessx[MAXATOM][3], hessy[MAXATOM][3], hessz[MAXATOM][3];
4     } hess; */
5    
6     EXTERN struct t_hess {
7     float **hessx, **hessy, **hessz;
8     } hess;
9    
10 gilbertke 63 void hessian(int, double *,int *, int *, int *,double *);
11