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81dd96f970
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print more meaningful error message when trying to access individual data from a local array produced by a compute */local
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2019-04-04 12:42:54 -04:00 |
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f17aff6331
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add some missing entries to src/USER-MISC/README
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2019-04-03 00:24:36 -04:00 |
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537704fdaa
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eliminate the use of the "using" keyword in headers of the KOKKOS package
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2019-04-03 00:13:52 -04:00 |
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52a13f31b3
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remove "using namespace" from header
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2019-04-03 00:04:12 -04:00 |
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f02b364e6e
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remove "using namespace" from header and include required header
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2019-04-03 00:03:34 -04:00 |
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40f1662c93
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reduce compiler warnings
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2019-04-02 23:44:00 -04:00 |
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6cb120d691
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get rid of "using" in USER-REAXC header
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2019-04-02 23:20:53 -04:00 |
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365166fef0
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print warning messages about calls to self only once
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2019-04-02 16:01:42 -04:00 |
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3eab343821
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give access to LAMMPS object and wrap in macros for optional exception handling
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2019-04-02 11:49:08 -04:00 |
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fd7c680654
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the lammps_gather_atom*() and lammps_scatter_atom() library functions are not compatible with -DLAMMPS_BIGBIG. divert to dummy functions resulting in error exists.
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2019-04-02 11:39:46 -04:00 |
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719a74a02f
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must include omp.h header when using OpenMP API functions
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2019-04-01 22:10:55 -04:00 |
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35129c0881
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posix_memalign() does not exist on windows, so we have to workaround using it with USER-INTEL
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2019-04-01 17:51:53 -04:00 |
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d5aa60dbfe
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skip inline function optimizations for windows when compiling with mingw
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2019-04-01 17:23:27 -04:00 |
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2e7316a9e3
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fix another windows portability issue in USER-PTM by adding missing header include
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2019-04-01 08:11:22 -04:00 |
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74489621c4
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correct misleading indentation to follow syntax
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2019-03-30 22:35:41 -04:00 |
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560ccb2719
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Merge pull request #1387 from akohlmey/next-patch-release
Step version string for next patch release
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2019-03-29 14:25:45 -04:00 |
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ff7f129a5d
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remove trailing whitespace
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2019-03-29 11:37:26 -04:00 |
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17cd650622
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Merge branch 'master' into collected-small-changes
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2019-03-29 11:35:15 -04:00 |
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677753731f
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Merge pull request #1395 from vishalkenchan/fix_unset_variable
Set Coulomb summation cutoff radii when it is explicitly specified
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2019-03-29 10:37:29 -04:00 |
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30929d95e2
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Merge pull request #1342 from dsbolin/gran_mods
New generalized granular pair style added
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2019-03-29 10:37:07 -04:00 |
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ff819be807
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more 'war on tabs'
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2019-03-29 10:21:44 -04:00 |
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13255d6338
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step version to 29 March 2019
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2019-03-29 09:20:33 -04:00 |
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6a60dad2c3
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Set Coulomb summation cutoff radii in the case it is explicitly specified.
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2019-03-29 10:02:15 +01:00 |
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088a672196
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replace (evil) tabs with (nice) spaces
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2019-03-28 16:20:57 -04:00 |
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93f531441a
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Merge pull request #1388 from lammps/tiled-bug
bug fix for tiled communication at cutoffs near box size
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2019-03-28 13:45:41 -04:00 |
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d71d12d2de
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Merge pull request #1391 from akohlmey/more-small-changes
Error out when per-atom stress is requested for USER-INTEL styles
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2019-03-28 13:45:10 -04:00 |
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4aff7191e7
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small whitespace cleanup
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2019-03-28 13:02:14 -04:00 |
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16f66dc561
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error out when per-atom stress is requested for bonded interactions with USER-INTEL
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2019-03-28 12:38:41 -04:00 |
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61483da58b
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error out when per-atom stress is requested
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2019-03-28 12:25:40 -04:00 |
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ab12a7c95b
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use consistent constants from math_const.h and fast integer powers from math_special
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2019-03-28 11:58:04 -04:00 |
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196b8c6eab
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Fix typos in error checking
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2019-03-28 11:53:32 -04:00 |
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b9bddd7ba6
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use ev_init() and add some more cosmetic changes to pair granular
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2019-03-28 11:47:41 -04:00 |
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2fa6e913ef
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Merge branch 'master' into gran_mods
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2019-03-28 11:46:44 -04:00 |
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3cc740b9d3
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handle granular specific pair style flags consistently and make sure they are never accessed uninitialized
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2019-03-28 11:46:04 -04:00 |
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03ee03c043
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remove set but unused flag
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2019-03-28 11:44:50 -04:00 |
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5d7c52e114
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clean up whitespace issues caused by commit 5210c4c3a4
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2019-03-28 11:23:37 -04:00 |
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5210c4c3a4
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cosmetic reformatting of new GRANULAR files
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2019-03-27 16:58:14 -06:00 |
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6b09f6d490
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bug fix for tiled communication at cutoffs near box size
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2019-03-27 15:51:10 -06:00 |
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28a6dcd1c3
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Merge pull request #1384 from lammps/rendezvous2
second attempt at adding rendezvous protocol for some to some communication.
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2019-03-27 17:44:16 -04:00 |
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2ad9355140
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Merge pull request #1383 from akohlmey/final-changes-for-patch
Several small changes and tweaks for patch release
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2019-03-27 17:00:56 -04:00 |
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e63d2cee87
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Merge pull request #1375 from akohlmey/install-python-for-cmake
Refactor python module installer and add install-python target to CMake
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2019-03-27 16:47:25 -04:00 |
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b685a0a7b8
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need to use fabs() when computing deltas when checking image flags for consistency
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2019-03-27 15:47:14 -04:00 |
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8a384df5c3
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use utils::strmatch() instead of strncmp()
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2019-03-27 06:19:42 -04:00 |
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8ba1d76055
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some dead code removal and more whitespace cleanup
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2019-03-27 05:38:41 -04:00 |
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af8f06141f
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Step version string for next patch release
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2019-03-26 23:02:07 -04:00 |
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b6b0d0b30e
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minor whitespace cleanup commit to retrigger PR tests on github
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2019-03-26 16:43:09 -04:00 |
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5a6a8a9e57
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Merge pull request #1379 from lammps/hyper
Hyper-dynamics update
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2019-03-26 16:30:37 -04:00 |
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26b90727b3
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whitespace cleanup
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2019-03-26 13:26:09 -04:00 |
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cf349633f7
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cosmetic changes
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2019-03-26 13:09:49 -04:00 |
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efad31f474
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bug fixes to added rendezvous algorithms
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2019-03-26 10:09:16 -06:00 |
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