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d614aeb91d
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Fix small memory leak, add debug RNG
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2025-01-20 17:37:32 -07:00 |
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70cbf051fe
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apply clang-format
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2024-10-04 19:41:59 -04:00 |
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a88e8757e3
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guard against not setting extscalar, extvector, or extarray when required
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2024-04-22 19:55:52 -04:00 |
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4d830f1450
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Merge branch 'develop' into collected-small-changes
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2024-01-15 09:23:35 -05:00 |
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72ba7f6535
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whitespace/clang-format
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2024-01-12 15:25:42 -05:00 |
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8b89c330e6
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make removed DOF computation large system compatible
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2024-01-10 15:32:02 -05:00 |
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35bf3e05ca
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Merge branch 'develop' into fix-rigid-enforce2d
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2023-09-22 12:01:57 -04:00 |
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1057fa9b00
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move diamflag from fix adapt and adapt/fep to base class for cleaner code
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2023-07-17 22:17:05 -04:00 |
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227c4f2f1a
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Merge branch 'develop' into fix-rigid-enforce2d
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2023-06-15 10:04:48 -04:00 |
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fdf9288e52
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Merge branch 'develop' into kk_fuse
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2023-05-02 10:11:55 -06:00 |
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fd65000afc
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Small refactor
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2023-05-01 13:08:01 -06:00 |
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235372d6e8
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Fuse some Kokkos kernels to reduce launch latency for small systems
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2023-04-28 14:40:59 -06:00 |
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5cb3d15ada
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Add Kokkos support for atom sorting on device
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2023-04-19 12:47:38 -06:00 |
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e1e82e6715
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Merge branch 'develop' into fix-rigid-enforce2d
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2023-04-14 14:38:21 -04:00 |
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8d523c0604
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enable fix rigid to support 2d enforcement internally
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2023-04-03 17:21:11 -06:00 |
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6d29e9209d
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Another refactor
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2023-03-01 15:48:04 -07:00 |
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d32da83eb6
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small bookkeeping changes
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2022-11-30 09:51:13 -07:00 |
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90b54300e9
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remove whitespace
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2022-11-07 16:18:40 -07:00 |
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b4118c51cc
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merged in current master
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2022-11-04 08:22:18 -06:00 |
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2132b1d904
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update developer reference text
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2022-10-24 11:08:26 -04:00 |
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cccf3f6f78
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change email for contacting LAMMPS developers, add to homepage checker
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2022-10-20 20:36:03 -04:00 |
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ec5b344a9f
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read/write from/to file for grid data
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2022-10-20 17:18:48 -06:00 |
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8313a8aa49
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calling structure for Grid3d remap
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2022-10-12 16:34:34 -06:00 |
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88c92119d3
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starting to add remap to Grid3d
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2022-09-22 14:37:52 -06:00 |
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22a9bfebe5
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reimplement utils::gridid_parse() function and update related code
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2022-08-17 13:18:12 -04:00 |
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7a0636ca0c
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whitespace fixes
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2022-08-17 10:15:30 -04:00 |
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58800b5191
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enable relancing to work with distributed grids
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2022-08-11 13:28:50 -06:00 |
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b1b778b45b
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first version of fix ave/grid
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2022-08-01 10:02:12 -06:00 |
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d819c890b6
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dump grid and compute property/grid
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2022-07-21 15:08:44 -06:00 |
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f69be2791b
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hooks from dump grid to fix
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2022-07-19 14:02:05 -06:00 |
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5c81ba81d7
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initial version of dump grid
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2022-07-19 11:03:44 -06:00 |
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78c10bac4a
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clang-format update
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2022-04-23 13:08:11 -04:00 |
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115962db88
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Merge branch 'develop' into remove-error-docs-in-header
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2022-04-23 12:46:54 -04:00 |
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79a7d2abf6
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remove error docs from header files
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2022-04-22 23:31:15 -04:00 |
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69d9c5187e
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refactor group access, enable and apply clang-format
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2022-04-15 15:29:43 -04:00 |
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f7514ce358
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make friends for access to instance_me member
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2022-03-02 19:06:08 -05:00 |
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b8d4030983
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Update more core class destructors
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2022-01-19 13:27:08 -05:00 |
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ac7c5592d7
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add centroid virial tally function in preparation for rigid/small support
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2021-12-06 17:45:49 +09:00 |
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abba1204a8
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support for centroid stress in fixes
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2021-12-06 17:12:39 +09:00 |
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3a9796d9b3
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add flags for centroid stress
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2020-12-14 19:29:18 +09:00 |
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e93ae9ba12
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apply clang-format
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2021-08-27 19:56:33 -04:00 |
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a85f125ee7
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whitespace
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2021-08-26 16:58:14 -04:00 |
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0dea376e1a
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restart support for TTM fixes
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2021-08-23 14:56:33 -06:00 |
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456b81417d
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first version of fix ttm/grid
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2021-06-09 09:03:50 -06:00 |
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09c19a936b
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update URLs in source code and manual
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2021-05-24 14:18:20 -04:00 |
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7fcd449864
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apply clang-format to all headers with some exceptions
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2021-05-14 19:16:07 -04:00 |
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df7fe4431f
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make LAMMPS homepage URL and C++ indicator comments consistent
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2021-04-22 21:26:07 -04:00 |
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71dbf43e09
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error our when Fix:set_molecule() is called with unsupported fixes
also add example input for using fix rigid/small with fix deposit
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2021-03-30 11:10:59 -04:00 |
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bca3164fc4
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fix whitespace issues
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2021-01-26 18:39:02 -05:00 |
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54e3ee74a2
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changes to USER-MISC package
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2021-01-21 15:37:18 -07:00 |
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