File
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Last Change |
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 ../
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utils/
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986 (21 years ago) by gezelter: Changes to BASS reader to use Euler angles for orientation instead of unit vectors required changes in MoLocator |
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third-party/
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960 (21 years ago) by gezelter: Added a bunch of dummy targets so make won't complain |
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staticProps/
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885 (21 years ago) by mmeineke: working on adding GofRtheta and GofRomega |
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src/
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1031 (21 years ago) by tim: Add some lines into global.cpp to make it work with energy minimization |
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scripts/
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622 (22 years ago) by mmeineke: added a quick wipe-and-update script for quick rebuilds on BoB |
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samples/
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1035 (21 years ago) by tim: Single version of energy minimization for argon is working, need to add constraint |
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libmdtools/
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1041 (21 years ago) by chrisfen: Stripped out the hardwired LJ_rcut |
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libBASS/
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1035 (21 years ago) by tim: Single version of energy minimization for argon is working, need to add constraint |
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forceFields/
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999 (21 years ago) by chrisfen: Substantial changes. OOPSE now has a working WATER.cpp forcefield and parser. This involved changes to WATER.cpp and ForceFields amoung other files. One important note: a hardwiring of LJ_rcut was made in calc_LJ_FF.F90. This will be removed on the next commit... |
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ac-tools/
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948 (21 years ago) by gezelter: Changes for altivec |
configure
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949 (21 years ago) by chuckv: Fixes for Dumps |
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README
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444 (22 years ago) by gezelter: Changed Readme, added some files |
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NEWS
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378 (22 years ago) by mmeineke: This commit was generated by cvs2svn to compensate for changes in r377, which included commits to RCS files with non-trunk default branches. |
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Makefile.in
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826 (22 years ago) by gezelter: Stuff for MOD support in other compilers |
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LICENSE
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384 (22 years ago) by gezelter: Added license file |
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ChangeLog
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1035 (21 years ago) by tim: Single version of energy minimization for argon is working, need to add constraint |
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AUTHORS
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378 (22 years ago) by mmeineke: This commit was generated by cvs2svn to compensate for changes in r377, which included commits to RCS files with non-trunk default branches. |