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1688 (13 years ago) by gezelter: Bug fixes for GB. Now using strength parameter mixing ideas from Wu et al. [J. Chem. Phys. 135, 155104 (2011)]. This helps get the dissimilar particle mixing behavior to be the same whichever order the two particles come in. This does require that the force field file to specify explicitly the values for epsilon in the cross (X), side-by-side (S), and end-to-end (E) configurations. |
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1 (20 years ago) by : Standard project directories initialized by cvs2svn. |
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1687 (13 years ago) by gezelter: Fixes for LLVM compilation Bug fix for Gay Berne potential with switching functions |