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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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fff28a8666
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remove trailing whitespace
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2019-03-26 11:17:21 -04:00 |
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1266b866e0
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add some degree of endian detection to hashlittle.cpp
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2019-03-26 11:01:39 -04:00 |
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1ca0c78a2e
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turn off diagnostic output for rendezvous op
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2019-03-26 11:01:39 -04:00 |
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0bf6b91576
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bug fix for new fix shake redezvous comm
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2019-03-26 11:01:39 -04:00 |
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62045a9c52
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cleanup up rendezvous diagnostic output
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2019-03-26 11:01:38 -04:00 |
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bbe6c9bb63
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added diagnostic info for memory and balance info
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2019-03-26 11:01:38 -04:00 |
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fc002e30d3
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added rendezvous via all2all
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2019-03-26 11:01:38 -04:00 |
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981f12ebeb
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fix a small memory leak in SHAKE setup
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2019-03-26 11:01:38 -04:00 |
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b370a61b60
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added rendezvous alg to fix shake
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2019-03-26 11:01:38 -04:00 |
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a3a16acead
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propagate rendezvous changes to fix rigid/small
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2019-03-26 11:01:38 -04:00 |
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17817fc290
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less comm version of special bonds rendezvous
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2019-03-26 11:01:38 -04:00 |
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3f9d59294e
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replace STL map with atom->map in special, better code comments
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2019-03-26 11:01:37 -04:00 |
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9912c44413
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rendevous comm option for special bonds and fix rigid/small
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2019-03-26 11:01:33 -04:00 |
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82d646cede
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print warning about missing fix nve/spin only on MPI rank 0
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2019-03-25 20:59:22 -04:00 |
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7b3f952990
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whitespace cleanup and dead code removal
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2019-03-25 20:50:39 -04:00 |
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