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852 (21 years ago) by mmeineke: fixed the "Sudden Death" bug. The box was not switching between orthorhombic and non-orthorhombic wrapping correctly. we added a fabs() to the check.which should fix it. |
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535 (21 years ago) by : This commit was manufactured by cvs2svn to create tag 'bob-5_14_03'. |
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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... |