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dac99e462f
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update log files
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2022-06-17 13:04:25 -04:00 |
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db3363649a
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dated example files
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2022-06-17 11:00:59 -06:00 |
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ec411df9ec
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Merge branch 'develop' into compute-grid-new
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2022-06-17 12:51:02 -04:00 |
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e201d6e77e
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Delete files
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2022-06-17 12:41:48 -04:00 |
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1f35065afc
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change to 9 element stress tensor
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2022-06-16 17:38:57 -06:00 |
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4dbecbba51
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more work on examples
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2022-06-16 16:07:40 -06:00 |
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86034a6277
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Merge remote-tracking branch 'origin/develop' into compute-grid-new
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2022-06-15 19:04:50 -06:00 |
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9ca91bfe80
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Created two simple examples of compute sna/grid and sna/grid/local
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2022-06-15 18:14:27 -06:00 |
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12d6983c9b
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more example bug fixes
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2022-06-15 17:08:54 -06:00 |
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a5745d925a
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new examples and debugging code changes
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2022-06-14 17:29:01 -06:00 |
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2028c68bec
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remove unused imports
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2022-06-14 10:45:05 -04:00 |
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2638213a5c
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Fixing documentation and adding colname to local
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2022-06-13 11:04:28 -06:00 |
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ef48fd2d9c
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remove unused imports
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2022-06-12 23:36:43 -04:00 |
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8427697caf
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Merge branch 'develop' into amoeba
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2022-06-09 13:19:12 -06:00 |
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081aa2629f
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Minor changes
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2022-06-09 00:50:03 -06:00 |
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c07d61d392
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Progress towards supporting ghosts in neighbor list
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2022-06-07 02:16:06 -06:00 |
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ce646a3859
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Working derivative extraction.
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2022-06-06 15:26:52 -06:00 |
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3af9546b94
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provide README files with pointers to the developer info for plugins
also add a paragraph with information about the ML-PACE plugin to the
plugin developer info docs.
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2022-06-04 11:49:33 -04:00 |
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a232bd3302
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refactor LAMMPS plugin building to share more code and to add a demo for ML-PACE
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2022-06-04 10:59:25 -04:00 |
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3beb071d38
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make plugin compilation settings with MSVC consistent and more compile specific
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2022-06-04 05:15:14 -04:00 |
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31f7798720
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Merge pull request #3278 from yury-lysogorskiy/feature/ml-pace-multispecies
ML_PACE package hybrid support and small updates
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2022-06-02 19:27:53 -04:00 |
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9f021ba490
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whitespace
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2022-06-01 21:54:33 -04:00 |
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f29c45f09a
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Merge branch 'amoeba' of github.com:lammps/lammps into amoeba
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2022-06-01 13:19:59 -06:00 |
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ea3467ab32
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benchmarking of replicated systems
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2022-06-01 13:19:47 -06:00 |
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8a055fdcfa
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merge with third manybody table example and provide updated log files
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2022-06-01 15:04:07 -04:00 |
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8e9071b01f
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move and update threebody/table examples
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2022-06-01 14:22:53 -04:00 |
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95a979c657
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examples/PACKAGES: rename pair_sw_3b_table to pair_sw_angle_table
including all input and documentation files
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2022-06-01 16:34:10 +02:00 |
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e8d9bf0507
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examples/PACKAGES: renamed pair_3b_table to pair_threebody_table
including all input and documentation files
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2022-06-01 16:30:37 +02:00 |
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97fab45f7e
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Merge branch 'develop' into amoeba-ak
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2022-05-28 05:24:02 -04:00 |
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d4904dd5fc
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Merge branch 'amoeba' into amoeba-ak
# Conflicts:
# src/AMOEBA/amoeba_dispersion.cpp
# src/AMOEBA/angle_amoeba.cpp
# src/AMOEBA/pair_amoeba.cpp
# src/pair.h
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2022-05-28 05:23:19 -04:00 |
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d7c1e54538
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address some more NOTE comments
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2022-05-27 17:30:20 -06:00 |
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e890e5718e
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examples/PACKAGES/pair_3b_table: added example for new pair style 3b/table
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2022-05-26 14:45:22 +02:00 |
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b8dfb23ede
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examples/PACKAGES/pair_sw_3b_table/README: corrections in the text
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2022-05-26 14:32:12 +02:00 |
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18c9960db0
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examples/pair_sw_3b_table/README: minor correction
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2022-05-26 14:25:24 +02:00 |
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770454cb8b
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examples/PACKAGES/pair_sw_3b_table: added example for new pair style sw/3b/table
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2022-05-26 14:00:06 +02:00 |
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75c0287024
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modify example input and output files
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2022-05-24 16:59:27 -06:00 |
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97eb6c195f
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updated examples
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2022-05-24 16:49:30 -06:00 |
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43048811dd
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Build dbidrj array.
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2022-05-24 15:33:40 -06:00 |
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a43b24781c
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Merge branch 'develop' into mliappy_unified
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2022-05-20 11:26:54 -06:00 |
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9a322b5a2a
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Update Al example script, add ghostneigh example
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2022-05-20 11:09:59 -06:00 |
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2044a9ef97
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Change neigh_modify every to 20
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2022-05-20 11:09:01 -06:00 |
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ac3fc35482
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Update InP example scripts
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2022-05-20 11:08:32 -06:00 |
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e94275391c
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Merge branch 'develop' into collected-small-changes
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2022-05-17 22:10:15 -04:00 |
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935c9a02d7
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Merge pull request #3267 from athomps/born-rotated
Added Python wrapper that handles rotations to and from LAMMPS frame
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2022-05-17 19:52:52 -04:00 |
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dbcc08ba00
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more refactoring for memory usage
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2022-05-17 16:26:53 -06:00 |
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72209b0617
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Merge pull request #3258 from akohlmey/create-atoms-mesh
Create atoms from STL mesh
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2022-05-17 18:11:41 -04:00 |
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899764c00c
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Merge pull request #3268 from akohlmey/update-kappa-example
Update KAPPA example
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2022-05-17 17:18:45 -04:00 |
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e07b46c771
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refactoring edits
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2022-05-17 14:40:09 -06:00 |
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510e78d4d3
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test scripts
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2022-05-17 12:44:11 -06:00 |
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db2d5b863d
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Improved MPI portability and added reference log files
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2022-05-16 08:22:45 -06:00 |
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