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bfdfd322df
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make compatible with C++20 and later
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2025-03-13 05:41:32 -04:00 |
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9d70c8b8ae
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provide error information for two more cases
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2025-03-13 05:31:41 -04:00 |
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0f10741f71
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update tests for variable commands
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2025-03-13 04:38:58 -04:00 |
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fd06c20a6a
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fix copy-n-paste error
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2025-03-12 22:58:33 -04:00 |
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f158b5195e
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add explanation for "did not assign all atoms"
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2025-03-12 22:51:29 -04:00 |
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33ac6c8836
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address several issues related to variables and improve error messages
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2025-03-12 22:33:07 -04:00 |
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16ed78f435
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Merge remote-tracking branch 'github/develop' into add-error-explanations
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2025-03-12 20:36:18 -04:00 |
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6d6fce7866
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provide explanation for "variable evaluated before simulation box is defined"
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2025-03-12 20:36:01 -04:00 |
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084bdb2da6
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Merge pull request #4496 from gplummer317/ctip
CTIP citation update
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2025-03-12 19:59:17 -04:00 |
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377c423e42
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Update pair_coul.rst
Updated CTIP citation
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2025-03-12 15:17:31 -07:00 |
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063d595233
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Update pair_coul.rst
Updated CTIP citation
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2025-03-12 15:16:59 -07:00 |
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9c4181e42e
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Update fix_qeq.rst
Updated CTIP citation
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2025-03-12 15:15:35 -07:00 |
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bd7420e496
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Merge remote-tracking branch 'github/develop' into add-error-explanations
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2025-03-12 18:08:53 -04:00 |
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24ce7bedcd
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Merge pull request #4493 from ssande7/correlate_first
Add `type first` option to correlation fixes
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2025-03-12 16:33:38 -04:00 |
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f097e8d951
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Merge pull request #4479 from yotamfe/bosonic-pimd-langevin
Adding support for bosonic path integral molecular dynamics simulations
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2025-03-12 15:28:51 -04:00 |
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3e62e660e5
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Update fix_pimd_bosonic.rst - delete trailing whitespace
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2025-03-12 18:20:30 +02:00 |
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4a2d78fd99
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Update fix_pimd.rst - delete trailing whitspace
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2025-03-12 18:19:48 +02:00 |
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d0aabe57bc
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better grammar
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2025-03-12 11:59:34 -04:00 |
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1cc69bd0df
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support referencing the general advice paragraphs
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2025-03-12 11:58:30 -04:00 |
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e3bf1a194d
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fix typos
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2025-03-12 11:56:40 -04:00 |
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930d3ddc17
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resolve spelling and formatting issues
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2025-03-12 11:53:57 -04:00 |
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508eeddf87
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Merge branch 'develop' into add-error-explanations
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2025-03-12 11:39:13 -04:00 |
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ebf6ba36bf
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remove leading 0 in single-digit url codes
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2025-03-12 07:39:45 -06:00 |
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90c713d065
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update details on errors 6, 7, 8, 10, 13, and warning 28
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2025-03-12 07:33:07 -06:00 |
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d1671c24c4
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add url for warning 28
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2025-03-12 07:28:58 -06:00 |
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fa262967e6
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add url for error 10
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2025-03-12 07:28:22 -06:00 |
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6d42040b9d
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add url for error 13
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2025-03-12 07:26:59 -06:00 |
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70faf86040
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add urls for error 08
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2025-03-12 07:25:09 -06:00 |
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ab63993226
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add urls for error 07
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2025-03-12 07:23:56 -06:00 |
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2c2eaf09e6
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add urls for error 06
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2025-03-12 07:22:47 -06:00 |
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1507d3511f
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Update fix_pimd.rst - added related commands
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2025-03-12 12:45:24 +02:00 |
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aa020c0ad3
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Update fix_pimd_bosonic.rst - added related commands
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2025-03-12 12:43:37 +02:00 |
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d076b1c582
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Update fix.rst - changed pimd/* to pimd/*/bosonic where needed
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2025-03-12 12:38:09 +02:00 |
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c144fc0fc6
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Fix constant i for type first
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2025-03-12 08:14:48 +10:00 |
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1d3b93b042
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Add type first option to fix ave/correlate
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2025-03-11 20:54:38 +10:00 |
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6fb382af3d
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Updated the documentation of pimd commands for distinguishable/bosonic particles.
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2025-03-11 11:58:29 +02:00 |
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b88accc50e
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Merge branch 'bosonic-pimd-langevin' of https://github.com/yotamfe/lammps into bosonic-pimd-langevin
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2025-03-11 11:00:00 +02:00 |
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242f77fce9
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Changed the names of fix pimdb/* commands to pimd/*/bosonic; Changed file names accordingly.
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2025-03-11 10:56:07 +02:00 |
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4246fab500
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Merge pull request #4462 from jtclemm/BPM
Elastic-plastic bond style
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2025-03-08 22:26:05 -05:00 |
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a61f67ceb7
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Merge pull request #4490 from gsalkuin/fix-move-rotate
Add option to rotate dipoles in fix move rotate or transrot
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2025-03-06 18:41:52 -05:00 |
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3f9167be59
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modernize error messages
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2025-03-06 11:07:34 -05:00 |
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1531810cc5
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add versionadded tag
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2025-03-06 03:59:47 -05:00 |
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c16bbf6bb0
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Merge branch 'develop' into fix-move-rotate
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2025-03-06 03:08:53 -05:00 |
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07c457221d
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Add checks, update flags
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2025-03-05 00:19:27 -05:00 |
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6da1c6270c
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Merge pull request #4351 from dhairyaiitb/develop
Revised velocity verlet scheme to prevent unphysical sticking in DEM simulations.
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2025-03-04 23:31:59 -05:00 |
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389b07418b
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add false positives
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2025-03-04 21:44:20 -05:00 |
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16c3198d27
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delete unused variables
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2025-03-04 21:39:26 -05:00 |
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885099cf77
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Merge branch 'develop' into dhairyaiitb_develop
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2025-03-04 21:29:40 -05:00 |
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037251238b
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Add type first option to fix ave/correlate/long
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2025-03-05 10:46:37 +10:00 |
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a229b148d1
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Update fix_move.rst
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2025-03-04 18:09:19 -05:00 |
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