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4eafb624b7
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Merge pull request #1392 from ellio167/kim-2.0.2
Updates for kim-api-2.0.2 release
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2019-03-29 11:31:00 -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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75382cf265
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update documentation tweaks to run cleanly
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2019-03-29 10:34:34 -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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1bf5047c7a
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document new CUDA_MPS_SUPPORT option in CMake
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2019-03-28 18:03:54 -04:00 |
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747ddf2642
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expose -DCUDA_PROXY define to CMake so that the GPU package can be used with nvidia MPS proxy server
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2019-03-28 17:15:05 -04:00 |
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9d0e518cc5
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Updates for kim-api-2.0.2 release
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2019-03-28 15:35:22 -05:00 |
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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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30bca9f91e
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force loading of Sphinx version 1.7.6 instead of 2.0.0 or later, so the spellchecker keeps working
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2019-03-28 16:20:19 -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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74bfd78b06
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Merge pull request #1390 from ckadding/master
Fix typos in argument checking for compute pressure/cylinder
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2019-03-28 13:44:53 -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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eab939af23
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add a note about the lack of stress/atom in USER-INTEL to the manual
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2019-03-28 12:47:06 -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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44fe8330b9
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Commit JT 032719
- commit before wok output
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2019-03-27 14:59:12 -06:00 |
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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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c4fd658e9d
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rename micelle-rigid to micelle.rigid
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2019-03-27 11:07:14 -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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03e86c4d17
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update python module installation instructions
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2019-03-26 22:49:21 -04:00 |
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9d22f82ba7
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update PyLAMMPS documentation/tutorial for CMake and the refactored installation process
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2019-03-26 22:42:09 -04:00 |
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3867972ae8
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make PYTHON_INSTDIR a cached variable and implement changes suggested by @junghans
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2019-03-26 22:08:53 -04:00 |
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77e323d28c
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prefix option in install.py not needed
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2019-03-26 21:55:07 -04:00 |
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1926c95625
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correct micelle data file without overwriting the molecule ids
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2019-03-26 19:08:58 -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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dbd458e9e3
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update micelle example with corrected data file and rigid body input
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2019-03-26 16:35:35 -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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07a6749ddc
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install LAMMPS python module with either install-python or install target if prerequisites are given
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2019-03-26 16:00:48 -04:00 |
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3cabfd13cd
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Commit JT 032619
- finish merge of min_spin.cpp
- test output
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2019-03-26 12:51:51 -06:00 |
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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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b8747ce8fb
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Merge branch 'clean-master2' of github.com:julient31/lammps into gneb_spin
Conflicts:
doc/src/min_modify.txt
doc/src/min_spin.txt
examples/SPIN/spinmin/in.spinmin.bfo
examples/SPIN/spinmin/in.spinmin.iron
src/SPIN/fix_precession_spin.cpp
src/SPIN/min_spin.cpp
src/SPIN/min_spin.h
src/SPIN/pair_spin_dmi.cpp
src/SPIN/pair_spin_exchange.cpp
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2019-03-26 10:59:21 -06:00 |
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