- Jun 27, 2017
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Axel Kohlmeyer authored
This is still a draft and in need of editing, proofreading and testing for formatting.
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- Jun 23, 2017
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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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- Jun 22, 2017
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sjplimp authored
fix issue with rRESPA inner/middle neighbor lists
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sjplimp authored
Collected small changes and bugfixes
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Axel Kohlmeyer authored
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Axel Kohlmeyer authored
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Axel Kohlmeyer authored
may check for 1-4 scaling factors in CHARMM dihedral styles only when "weightflag" is set, since they may be used with amber
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Axel Kohlmeyer authored
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Axel Kohlmeyer authored
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- Jun 21, 2017
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Steve Plimpton authored
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sjplimp authored
insure compute pair/property local will use a copy of granular neighbor list
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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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- Jun 20, 2017
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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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Steve Plimpton authored
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sjplimp authored
minor changes to NEB doc pages and examples
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Axel Kohlmeyer authored
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Steve Plimpton authored
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sjplimp authored
Implement workaround for NVCC incompatibilities with OpenMP directives
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sjplimp authored
Updates for USER-INTEL package and NEB command flags/docs updates and issues
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sjplimp authored
Refactor Dump and Irregular classes to remove static class members
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- Jun 19, 2017
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Axel Kohlmeyer authored
this version eliminates the need for the PBCconnected list and avoids having to access the spec_atom array for ghost atoms
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Axel Kohlmeyer authored
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Axel Kohlmeyer authored
protect all OpenMP pragmas with ifdefs and add special conditions for nvcc to ignore unsupported directives
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Axel Kohlmeyer authored
removed are: - DOS/Windows text format carriage return characters (^M) - tabs replaced with spaces (tabs are evil!!) - trailing whitespace
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Axel Kohlmeyer authored
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Axel Kohlmeyer authored
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Emile Maras authored
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Emile Maras authored
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- Jun 17, 2017
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Axel Kohlmeyer authored
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