- Jun 23, 2017
-
-
Axel Kohlmeyer authored
-
- Jun 22, 2017
-
-
sjplimp authored
fix issue with rRESPA inner/middle neighbor lists
-
sjplimp authored
Collected small changes and bugfixes
-
Axel Kohlmeyer authored
-
Axel Kohlmeyer authored
-
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
-
Axel Kohlmeyer authored
-
Axel Kohlmeyer authored
-
- Jun 21, 2017
-
-
Steve Plimpton authored
-
sjplimp authored
insure compute pair/property local will use a copy of granular neighbor list
-
Steve Plimpton authored
-
Axel Kohlmeyer authored
-
Axel Kohlmeyer authored
-
Axel Kohlmeyer authored
-
- Jun 20, 2017
-
-
Axel Kohlmeyer authored
-
Axel Kohlmeyer authored
-
Axel Kohlmeyer authored
-
Axel Kohlmeyer authored
-
Axel Kohlmeyer authored
-
Axel Kohlmeyer authored
-
Axel Kohlmeyer authored
-
Steve Plimpton authored
-
sjplimp authored
minor changes to NEB doc pages and examples
-
Axel Kohlmeyer authored
-
Steve Plimpton authored
-
sjplimp authored
Implement workaround for NVCC incompatibilities with OpenMP directives
-
sjplimp authored
Updates for USER-INTEL package and NEB command flags/docs updates and issues
-
sjplimp authored
Refactor Dump and Irregular classes to remove static class members
-
- Jun 19, 2017
-
-
Axel Kohlmeyer authored
this version eliminates the need for the PBCconnected list and avoids having to access the spec_atom array for ghost atoms
-
Axel Kohlmeyer authored
-
Axel Kohlmeyer authored
protect all OpenMP pragmas with ifdefs and add special conditions for nvcc to ignore unsupported directives
-
Axel Kohlmeyer authored
removed are: - DOS/Windows text format carriage return characters (^M) - tabs replaced with spaces (tabs are evil!!) - trailing whitespace
-
Axel Kohlmeyer authored
-
Axel Kohlmeyer authored
-
Emile Maras authored
-
Emile Maras authored
-
- Jun 17, 2017
-
-
Axel Kohlmeyer authored
-
Steve Plimpton authored
-
- Jun 16, 2017
-
-
Steve Plimpton authored
-
Axel Kohlmeyer authored
-DLMP_USE_LIBC_QSORT will use qsort() from libc to sort (requires static/global variables). -DLMP_USE_MERGE_SORT will use a plain merge sort. slightly slower for expensive comparisons. -DLMP_USE_HYBRID_SORT will use hybrid merge sort. faster than merge sort (no static/global variables)
-