9c494d0a25
include space in custom formats to show how spaces can be used to separate columns
2025-03-10 13:30:08 -04:00
312bdcbddd
correct and clarify statements about the potentials and their relations to each other
2025-03-10 06:26:37 -04:00
79d2346eaa
resolve spelling and formatting issues
2025-03-10 06:25:11 -04:00
4be39d6d2b
fix typos
2025-03-09 22:46:03 -04:00
9ee1648af2
document removed compute atom/molecule and its equivalent using chunks
2025-03-09 22:21:51 -04:00
ca3d2de44b
fix broken URL due to typo
2025-03-09 22:10:52 -04:00
ce10be7492
Merge branch 'develop' into collected-small-fixes
2025-03-08 22:28:31 -05:00
4246fab500
Merge pull request #4462 from jtclemm/BPM
...
Elastic-plastic bond style
2025-03-08 22:26:05 -05:00
e3cf1dec27
restore original delete_atoms implementation. new version spun off as PR #4492
2025-03-08 17:52:26 -05:00
0a1e3fa26a
Merge remote-tracking branch 'github/develop' into collected-small-fixes
2025-03-07 12:34:08 -05:00
6e94d83cff
add option to synchronize fix halt stop requests across multi-partition runs
2025-03-07 11:40:27 -05:00
22fa86a1b7
add "condense" keyword to delete_atoms what will compact the atom IDs while preserving their order
2025-03-06 20:44:05 -05:00
09c8dc07d8
update statements about what packages support and what not
2025-03-06 11:08:22 -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
711d76531f
Merge remote-tracking branch 'github/develop' into collected-small-fixes
2025-03-04 23:34:36 -05:00
505d295d16
small correction
2025-03-04 23:34:24 -05:00
cc70b5bb89
document some internal styles
2025-03-04 23:15:41 -05:00
885099cf77
Merge branch 'develop' into dhairyaiitb_develop
2025-03-04 21:29:40 -05:00
a229b148d1
Update fix_move.rst
2025-03-04 18:09:19 -05:00
0f20eca322
Merge branch 'develop' into collected-small-fixes
2025-03-03 21:02:19 -05:00
42923179e5
clarify which damping is documented where
2025-03-03 16:32:50 -05:00
7fc4ba9628
move documentation of sign() function to logical location and add version tag
2025-03-02 12:40:32 -05:00
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"
...
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
ef5c797a84
Merge remote-tracking branch 'github/develop' into collected-small-fixes
2025-02-27 23:21:34 -05:00
aaa81b2576
Merge pull request #4475 from lasergyro/patch-1
...
Update fix_press_langevin.rst to include full equation 13
2025-02-27 03:02:39 -05:00
a99a567f0c
add note that dynamic groups are only supported without averaging
2025-02-26 11:12:58 -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
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
6fb1f4466c
fixed_whitespace
2025-02-18 13:10:07 -06:00
0a1b10faef
updated version based on feedback
2025-02-18 12:58:09 -06:00
f5099b7c16
Update fix_press_langevin.rst to include full equation 13
...
Completest equation 13 to match the [paper](https://pubs.aip.org/jcp/article/141/19/194108/152571/Constant-pressure-and-temperature-discrete-time ) and the [implementation](36e739b734/src/fix_press_langevin.cpp (L485-L487)
2025-02-18 17:15:01 +01:00
5d4a277623
add versionadded tag
2025-02-16 22:51:00 -05:00
9f02f20023
add compute vacf/chunk command
2025-02-16 22:43:28 -05:00
0fb79ae3ff
Updated reference
2025-02-14 10:30:50 -06:00
53213fb6ff
fix spelling issues
2025-02-13 18:27:08 -05:00
1c65907d72
Merge branch 'develop' into bye-bye-python-zwei
2025-02-13 17:01:39 -05:00
2a2e9919cf
remove preliminary (and broken) code for creating planes and update docs, so the PR can be merged
2025-02-13 17:01:13 -05:00
73852524dd
Merge branch 'develop' into bye-bye-python-zwei
2025-02-13 03:17:53 -05:00
0f972a87fd
adjust some wording for the removal of Python 2.x compatibility
2025-02-12 22:04:18 -05:00
926f336962
add some note about build prerequisites
2025-02-12 21:46:37 -05:00
ba14ce210c
Fixing mistakes & clarifying BPM files
2025-02-11 10:42:56 -07:00
f8b13b21ec
Merge branch 'develop' into collected-small-changes
2025-02-10 17:57:49 -05:00
