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74e8505a1f
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Merge branch 'master' into collected-small-changes
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2020-04-27 16:57:47 -04:00 |
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2dd737e765
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Fix UVM compile issues
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2020-04-27 14:47:03 -06:00 |
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b38e95f88c
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Merge pull request #1895 from stanmoore1/kk_compute_orientorder_atom
Add Kokkos version of compute orientorder/atom
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2020-04-27 16:34:29 -04:00 |
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0f28e0eb0f
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Merge pull request #2030 from lammps/revert-2018-cmake_kim-api_find
Revert "cmake: move kim-api detection to cmake config"
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2020-04-27 16:16:55 -04:00 |
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121b40ebaa
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Merge pull request #2026 from ndtrung81/ellipsoid-gpu-special-bonds
Fixed bugs with special bonds for ellipsoid gpu pair styles
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2020-04-27 16:15:58 -04:00 |
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d4c06a2e2a
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Merge pull request #2027 from junghans/cmake_clean_up_plumed
USER-PLUMED: remove unused defines
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2020-04-27 16:12:58 -04:00 |
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0a9bed0ca6
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Merge branch 'cmake_clean_up_plumed' of github.com:junghans/lammps into collected-small-changes
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2020-04-27 16:07:52 -04:00 |
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7b79b31018
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remove latex support from accelerator image definitions
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2020-04-27 15:17:45 -04:00 |
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1aaf3ee03f
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add new combined container for compiling with GPU support.
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2020-04-27 15:14:02 -04:00 |
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0338d57857
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Merge branch 'kokkos_fix' of github.com:yafshar/lammps into collected-small-changes
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2020-04-27 15:00:04 -04:00 |
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f9b873db24
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Merge pull request #2032 from akohlmey/change-box-image-flags
Reset image flag(s) when changing from periodic to non-periodic
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2020-04-27 14:58:36 -04:00 |
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437967bfd8
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adding the standard header to prevent ‘NULL’ was not declared error
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2020-04-27 12:49:03 -05:00 |
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a4b3af7d95
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Fix bug in Kokkos occasional neighlist build
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2020-04-27 10:07:26 -06:00 |
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73ec2d8182
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fix typo in MPI_Allreduce call.
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2020-04-27 11:06:17 -04:00 |
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b04cc115f3
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document the image flag reset for switching boundaries
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2020-04-27 10:51:53 -04:00 |
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644f74c585
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when changing boundaries from periodic to non-periodic, we need to reset the image flags for these dimensions to 0
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2020-04-27 10:39:34 -04:00 |
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a96f0af271
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Merge branch 'kk_compute_orientorder_atom' of ssh://github.com/stanmoore1/lammps into kk_compute_coord_atom
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2020-04-27 08:32:55 -06:00 |
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ee9757b155
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Add missing copymode flag statement
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2020-04-27 08:31:56 -06:00 |
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3028b028f0
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Merge branch 'kk_compute_orientorder_atom' of ssh://github.com/stanmoore1/lammps into kk_compute_coord_atom
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2020-04-27 08:14:52 -06:00 |
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5de6224bd3
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Fix logic error
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2020-04-27 08:14:19 -06:00 |
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f1aaad2b13
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remove trailing whitespace
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2020-04-27 09:54:05 -04:00 |
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bc3a1187ae
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make behavior of comparing cutoff and long-range coulomb independent of order
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2020-04-27 08:06:20 -04:00 |
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d946c61789
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re-indent code to better match LAMMPS conventions
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2020-04-26 23:25:52 -04:00 |
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d53e468ce0
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do not mix c++ style and c-style comments
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2020-04-26 22:50:24 -04:00 |
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8fec14f593
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Update fix_bond_react.rst
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2020-04-26 13:08:40 -06:00 |
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6baca04447
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round up 'nevery' variable eval
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2020-04-26 12:45:42 -06:00 |
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281c105a34
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KIM.cmake: add workaround for <cmake-3.12
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2020-04-26 12:02:18 -06:00 |
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d092b24c2e
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Revert "cmake: move kim-api detection to cmake config"
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2020-04-26 11:56:48 -06:00 |
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0b6e5be379
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cosmetic edit to trigger new CI test runs
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2020-04-26 00:25:07 -04:00 |
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9a5b7141af
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move MPI compilation variable definitions workaround to MPI4WIN.cmake
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2020-04-26 00:14:27 -04:00 |
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a614242595
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allow variable-input for Nevery, Rmin, Rmax keywords
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2020-04-25 21:45:43 -06:00 |
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e5360bb68a
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Merge remote-tracking branch 'github/cmake_latte_link_fix' into collected-small-changes
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2020-04-25 23:07:58 -04:00 |
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758a27c1e7
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update MPI detection and handling of MPI to not automatically assume that a windows target means cross-compiling
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2020-04-25 22:06:36 -04:00 |
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7fd50045fe
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USER-PLUMED: remove unused defines
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2020-04-25 10:16:58 -06:00 |
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1295a9ef46
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Fixed bugs with special bonds for ellipsoid gpu pair styles
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2020-04-25 10:28:18 -05:00 |
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5308b00c7b
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Update LATTE.cmake
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2020-04-25 07:28:16 -06:00 |
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3bebf017c0
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Rename log.22Apr20.tiny_nylon.unstabilized.g++.4 to log.22Apr20.tiny_nylon.stabilized_variable_probability.g++.4
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2020-04-25 15:05:32 +02:00 |
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a6c3f2c0e3
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Rename log.22Apr20.tiny_nylon.unstabilized.g++.1 to log.22Apr20.tiny_nylon.stabilized_variable_probability.g++.1
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2020-04-25 15:04:46 +02:00 |
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643ef2e2bc
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return of the data file
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2020-04-24 22:59:20 -06:00 |
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bac681b9dc
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cmake: fix linkage against external latte
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2020-04-24 20:51:58 -06:00 |
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1de3995598
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rename src/MAKE/MINE/... to src/MAKE/MINE/.gitignore to avoid penalizing people downloading LAMMPS via git on windows
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2020-04-24 21:26:11 -04:00 |
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0a96a8c3a5
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make check for running under hybrid/overlay compatible with suffix styles
also improve error message
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2020-04-24 21:23:21 -04:00 |
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72ff0dd87d
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Merge pull request #2004 from stanmoore1/kk_3.1
Update Kokkos library in LAMMPS to v3.1
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2020-04-24 18:35:53 -04:00 |
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5cbebddae6
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Merge pull request #2006 from ndtrung81/body-doc-fix
Fixed the doc page for fix wall/body/polyhedron
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2020-04-24 18:01:50 -04:00 |
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3f8efed1fd
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Merge pull request #2010 from akohlmey/collected-small-fixes
Collected bug fixes and small updates
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2020-04-24 17:44:49 -04:00 |
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5855d334e6
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Merge pull request #2014 from ellio167/kim_charge
Added changes to support SMs setting charges in kim_interactions
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2020-04-24 17:13:58 -04:00 |
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4dae4578ad
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Merge pull request #2018 from junghans/cmake_kim-api_find
cmake: move kim-api detection to cmake config
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2020-04-24 16:55:48 -04:00 |
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91d958faff
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Remove Kokkos deprecated code
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2020-04-24 12:52:46 -06:00 |
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756724c9e3
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Merge branch 'kk_compute_orientorder_atom' of ssh://github.com/stanmoore1/lammps into kk_compute_coord_atom
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2020-04-24 12:50:40 -06:00 |
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261b826cfc
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Remove Kokkos deprecated code
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2020-04-24 12:49:50 -06:00 |
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