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root/freemol/trunk/smi23d/src/mengine/energies.h
Revision: 3
Committed: Mon Jun 9 21:38:26 2008 UTC (11 years, 6 months ago) by tjod
File size: 269 byte(s)
Log Message:
test

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; } energies;
4
5 EXTERN struct t_virial {
6 double virx, viry, virz;
7 } virial;