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root/freemol/branches/sync4pymol12/src/mengine/src/energies.h
Revision: 96
Committed: Sat Jan 17 23:40:13 2009 UTC (10 years, 10 months ago) by wdelano
File size: 283 byte(s)
Log Message:
using last pre-openmp source version
Line File contents
1 EXTERN struct t_energies {
2 double total, estr, ebend, estrbnd, e14, evdw, etor, eu, eopb,
3 eangang, estrtor, ehbond, efix, eimprop, eimptors, eurey, esolv, egeom; } energies;
4
5 EXTERN struct t_virial {
6 double virx, viry, virz;
7 } virial;