- Aug 10, 2017
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Steve Plimpton authored
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Axel Kohlmeyer authored
This reverts commit 4e97b575.
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Axel Kohlmeyer authored
when recomputing special bonds, make certain we do not shrink atom->maxspecial and add force->special_extra only once
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Axel Kohlmeyer authored
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Axel Kohlmeyer authored
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- Aug 09, 2017
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Axel Kohlmeyer authored
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Axel Kohlmeyer authored
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- Aug 08, 2017
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Axel Kohlmeyer authored
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Axel Kohlmeyer authored
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- Aug 04, 2017
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Axel Kohlmeyer authored
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- Jul 28, 2017
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Axel Kohlmeyer authored
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- Jul 27, 2017
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Axel Kohlmeyer authored
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- Jul 26, 2017
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Steve Plimpton authored
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Axel Kohlmeyer authored
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Axel Kohlmeyer authored
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Axel Kohlmeyer authored
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- Jul 24, 2017
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Steve Plimpton authored
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- Jul 23, 2017
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Axel Kohlmeyer authored
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Axel Kohlmeyer authored
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- Jul 22, 2017
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Axel Kohlmeyer authored
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- Jul 21, 2017
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Axel Kohlmeyer authored
we may make this a run time setting by connecting this code to a command.
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Axel Kohlmeyer authored
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Axel Kohlmeyer authored
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- Jul 20, 2017
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Axel Kohlmeyer authored
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Axel Kohlmeyer authored
this addresses the issue reported by stan and ishan
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Axel Kohlmeyer authored
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Axel Kohlmeyer authored
updates to USER-REAXC code in USER-OMP from Chris Knight. addresses issues with multiple threads in use
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- Jul 19, 2017
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Giacomo Fiorin authored
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Axel Kohlmeyer authored
support QUIP wrapper API version query, relax hybrid restriction to allow hybrid/overlay, update docs
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- Jul 18, 2017
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Axel Kohlmeyer authored
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Axel Kohlmeyer authored
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Axel Kohlmeyer authored
add various checks and improvements to identify incompatible uses and warn or exit with error message
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Axel Kohlmeyer authored
add workaround that allows pair style quip to work with -DLAMMPS_BIGBIG, assuming tags are still only 32-bit signed integer
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Axel Kohlmeyer authored
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Axel Kohlmeyer authored
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Axel Kohlmeyer authored
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Axel Kohlmeyer authored
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Axel Kohlmeyer authored
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Axel Kohlmeyer authored
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Axel Kohlmeyer authored
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