File
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Last Change |
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 ../
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devel_omp/
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1617 (13 years ago) by mciznick: Added sample files for argon: 1000, 10000, 75000. |
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development/
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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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heatflux/
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1685 (13 years ago) by chuckv: Bug squashes. Pre-existing bug where ppot_row and ppot_col were never zeroed. In non-metallic potentials these arrays should be zero. |