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root/group/trunk/OOPSE_old/src/mdtools/libmdCode/LJ_FF.cpp
Revision 367 - (view) (annotate) - [select for diffs]
Modified Wed Mar 19 17:29:49 2003 UTC (21 years, 4 months ago) by mmeineke
File length: 12520 byte(s)
Diff to previous 365
*** empty log message ***

Revision 365 - (view) (annotate) - [select for diffs]
Modified Tue Mar 18 22:17:31 2003 UTC (21 years, 4 months ago) by mmeineke
File length: 12513 byte(s)
Diff to previous 362
some initial bug fixes

Revision 362 - (view) (annotate) - [select for diffs]
Modified Tue Mar 18 21:25:45 2003 UTC (21 years, 4 months ago) by mmeineke
File length: 12513 byte(s)
Diff to previous 348
shed implementation of the Fortran interfaces.

Revision 348 - (view) (annotate) - [select for diffs]
Modified Fri Mar 14 21:33:10 2003 UTC (21 years, 4 months ago) by mmeineke
File length: 12342 byte(s)
Diff to previous 321
mostly compiles. interface twixt c and fortran is broken. (c needs to be brought up to date with fortran.)

Revision 321 - (view) (annotate) - [select for diffs]
Modified Wed Mar 12 15:12:24 2003 UTC (21 years, 4 months ago) by mmeineke
File length: 12315 byte(s)
Diff to previous 299
added the force parameter files into the distribution

Revision 299 - (view) (annotate) - [select for diffs]
Modified Fri Mar 7 19:31:02 2003 UTC (21 years, 4 months ago) by mmeineke
File length: 12497 byte(s)
Diff to previous 296
implemented the new fortran force interface

Revision 296 - (view) (annotate) - [select for diffs]
Modified Thu Mar 6 20:05:39 2003 UTC (21 years, 4 months ago) by mmeineke
File length: 14204 byte(s)
Diff to previous 294
dded more static arrays to the Atom class;

Revision 294 - (view) (annotate) - [select for diffs]
Modified Thu Mar 6 17:04:09 2003 UTC (21 years, 4 months ago) by mmeineke
File length: 13732 byte(s)
Diff to previous 291
finished conversion of all function wrapping into fortranWrappers.cpp and .hpp respectively

Revision 291 - (view) (annotate) - [select for diffs]
Modified Wed Mar 5 20:35:54 2003 UTC (21 years, 4 months ago) by mmeineke
File length: 15631 byte(s)
Diff to previous 290
overhauled TraPPE_Ex forcfield in C++

Revision 290 - (view) (annotate) - [select for diffs]
Modified Thu Feb 27 21:25:47 2003 UTC (21 years, 4 months ago) by chuckv
File length: 15611 byte(s)
Diff to previous 275
Made changes to lj_FF.cpp to pass stress tensor.

Revision 275 - (view) (annotate) - [select for diffs]
Modified Tue Feb 18 21:06:36 2003 UTC (21 years, 5 months ago) by mmeineke
File length: 15285 byte(s)
Diff to previous 270
libmdCode builds.

Revision 270 - (view) (annotate) - [select for diffs]
Added Fri Feb 14 17:08:46 2003 UTC (21 years, 5 months ago) by mmeineke
File length: 15216 byte(s)
added libmdCode and a couple help scripts

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