9d70c8b8ae
provide error information for two more cases
2025-03-13 05:31:41 -04:00
f158b5195e
add explanation for "did not assign all atoms"
2025-03-12 22:51:29 -04:00
33ac6c8836
address several issues related to variables and improve error messages
2025-03-12 22:33:07 -04:00
16ed78f435
Merge remote-tracking branch 'github/develop' into add-error-explanations
2025-03-12 20:36:18 -04:00
6d6fce7866
provide explanation for "variable evaluated before simulation box is defined"
2025-03-12 20:36:01 -04:00
377c423e42
Update pair_coul.rst
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Updated CTIP citation
2025-03-12 15:17:31 -07:00
063d595233
Update pair_coul.rst
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Updated CTIP citation
2025-03-12 15:16:59 -07:00
9c4181e42e
Update fix_qeq.rst
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Updated CTIP citation
2025-03-12 15:15:35 -07:00
bd7420e496
Merge remote-tracking branch 'github/develop' into add-error-explanations
2025-03-12 18:08:53 -04:00
24ce7bedcd
Merge pull request #4493 from ssande7/correlate_first
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Add `type first` option to correlation fixes
2025-03-12 16:33:38 -04:00
f097e8d951
Merge pull request #4479 from yotamfe/bosonic-pimd-langevin
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Adding support for bosonic path integral molecular dynamics simulations
2025-03-12 15:28:51 -04:00
3e62e660e5
Update fix_pimd_bosonic.rst - delete trailing whitespace
2025-03-12 18:20:30 +02:00
4a2d78fd99
Update fix_pimd.rst - delete trailing whitspace
2025-03-12 18:19:48 +02:00
d0aabe57bc
better grammar
2025-03-12 11:59:34 -04:00
1cc69bd0df
support referencing the general advice paragraphs
2025-03-12 11:58:30 -04:00
e3bf1a194d
fix typos
2025-03-12 11:56:40 -04:00
930d3ddc17
resolve spelling and formatting issues
2025-03-12 11:53:57 -04:00
508eeddf87
Merge branch 'develop' into add-error-explanations
2025-03-12 11:39:13 -04:00
90c713d065
update details on errors 6, 7, 8, 10, 13, and warning 28
2025-03-12 07:33:07 -06:00
1507d3511f
Update fix_pimd.rst - added related commands
2025-03-12 12:45:24 +02:00
aa020c0ad3
Update fix_pimd_bosonic.rst - added related commands
2025-03-12 12:43:37 +02:00
d076b1c582
Update fix.rst - changed pimd/* to pimd/*/bosonic where needed
2025-03-12 12:38:09 +02:00
c144fc0fc6
Fix constant i for type first
2025-03-12 08:14:48 +10:00
1d3b93b042
Add type first option to fix ave/correlate
2025-03-11 20:54:38 +10:00
6fb382af3d
Updated the documentation of pimd commands for distinguishable/bosonic particles.
2025-03-11 11:58:29 +02:00
4246fab500
Merge pull request #4462 from jtclemm/BPM
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Elastic-plastic bond style
2025-03-08 22:26:05 -05:00
1531810cc5
add versionadded tag
2025-03-06 03:59:47 -05:00
c16bbf6bb0
Merge branch 'develop' into fix-move-rotate
2025-03-06 03:08:53 -05:00
389b07418b
add false positives
2025-03-04 21:44:20 -05:00
885099cf77
Merge branch 'develop' into dhairyaiitb_develop
2025-03-04 21:29:40 -05:00
037251238b
Add type first option to fix ave/correlate/long
2025-03-05 10:46:37 +10:00
a229b148d1
Update fix_move.rst
2025-03-04 18:09:19 -05:00
42923179e5
clarify which damping is documented where
2025-03-03 16:32:50 -05:00
2e3c1dfcc6
error explanations for net charge warning err_0029
2025-03-03 10:59:23 -07:00
38f8299cfb
Merge remote-tracking branch 'github/develop' into fix-dispersion-d3-issues
2025-03-01 00:44:14 -05:00
169c051308
require metal units
2025-03-01 00:20:50 -05:00
9f78d5797b
rename "zero" keyword for damping function to "original"
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this avoids conflicts with pair style zero when used as a hybrid sub-style.
for backward compatibility the "zero" keyword is still recognized but
is undocumented.
2025-03-01 00:20:00 -05:00
dbdc71433c
Merge branch 'develop' into bosonic-pimd-langevin
2025-02-27 12:25:18 +02:00
aaa81b2576
Merge pull request #4475 from lasergyro/patch-1
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Update fix_press_langevin.rst to include full equation 13
2025-02-27 03:02:39 -05:00
9bf19159a4
add block to list of regions with all-variable shape options
2025-02-26 10:42:52 -05:00
b89046d82f
Merge branch 'develop' into patch-4
2025-02-26 10:40:41 -05:00
0448651a90
reformatting and correcting doc page issues and appy spelling fixes and false positives
2025-02-23 12:05:53 -05:00
f46d066e5b
more
2025-02-23 17:43:15 +02:00
1cb47dc066
trailing whitespaces
2025-02-23 17:40:12 +02:00
63d49f50d1
Merge branch 'develop' of https://github.com/lammps/lammps into bosonic-pimd-langevin
2025-02-23 16:54:55 +02:00
f1e1099ac2
fix typo
2025-02-23 04:46:34 -05:00
7952281f78
Merge branch 'develop' into sync_verlet
2025-02-19 12:33:54 -07:00
a31f4f79b8
Merge branch 'develop' into sync_verlet
2025-02-19 12:32:29 -07:00
abc8954c5c
Adding line breaks
2025-02-19 11:28:05 -07:00
90c2175056
Updated rotation and documentation
2025-02-18 20:16:31 -06:00
