e3cf1dec27
restore original delete_atoms implementation. new version spun off as PR #4492
2025-03-08 17:52:26 -05:00
388f279633
set stores_ids flag for some fixes as suggested by @sjplimp
2025-03-07 12:43:32 -05:00
0a1e3fa26a
Merge remote-tracking branch 'github/develop' into collected-small-fixes
2025-03-07 12:34:08 -05:00
976b73a2f2
fix typo
2025-03-07 12:05:38 -05:00
9af8fdc91e
add MPI stub for MPI_Iprobe()
2025-03-07 11:50:53 -05:00
24fc6eb10a
modernize error messages
2025-03-07 11:40:41 -05:00
6e94d83cff
add option to synchronize fix halt stop requests across multi-partition runs
2025-03-07 11:40:27 -05:00
2ff078f973
add some more tests for delete_atom
2025-03-07 02:24:12 -05:00
7bd7be8f86
error out when trying unsupported pimd method with multiple processors per bead
2025-03-07 01:59:41 -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
a61f67ceb7
Merge pull request #4490 from gsalkuin/fix-move-rotate
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Add option to rotate dipoles in fix move rotate or transrot
2025-03-06 18:41:52 -05:00
9b1dca201f
rewrite incorrect statement
2025-03-06 15:45:24 -05:00
46393cc930
modernize error messages
2025-03-06 13:15:24 -05:00
916ab55a31
reverse normalization between type pairs if the types were swapped on input
2025-03-06 13:15:09 -05:00
09c8dc07d8
update statements about what packages support and what not
2025-03-06 11:08:22 -05:00
3f9167be59
modernize error messages
2025-03-06 11:07:34 -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
abc14c00a0
use different method to enforce the C locale in LAMMPS GUI
2025-03-05 17:40:36 -05:00
47cea8e1ba
use pairwise cutoff for trimming unless a custom cutoff if given
2025-03-05 04:23:07 -05:00
b433c8cb77
only trim if neighbor list request has a custom cutoff
2025-03-05 04:16:13 -05:00
07c457221d
Add checks, update flags
2025-03-05 00:19:27 -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
6da1c6270c
Merge pull request #4351 from dhairyaiitb/develop
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Revised velocity verlet scheme to prevent unphysical sticking in DEM simulations.
2025-03-04 23:31:59 -05:00
cc70b5bb89
document some internal styles
2025-03-04 23:15:41 -05:00
389b07418b
add false positives
2025-03-04 21:44:20 -05:00
16c3198d27
delete unused variables
2025-03-04 21:39:26 -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
43f3db1867
Update fix_move.cpp
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Make update dipole optional
2025-03-04 17:33:14 -05:00
61daafca62
Update fix_move.cpp
2025-03-04 15:27:16 -05:00
ac2214e5f2
Update fix_move.h
2025-03-04 15:26:41 -05:00
71b86b102d
enable use of Sphinx 8.2.x
2025-03-03 21:08:45 -05:00
0f20eca322
Merge branch 'develop' into collected-small-fixes
2025-03-03 21:02:19 -05:00
16db8e1515
Merge pull request #4483 from Yuanlab-SUSTECH/mybranch
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fix the bug of pair_ylz.cpp
2025-03-03 20:59:05 -05:00
700eb0c0e6
Merge pull request #4485 from akohlmey/fix-dispersion-d3-issues
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Address several issues with pair style dispersion/d3
2025-03-03 20:58:29 -05:00
42923179e5
clarify which damping is documented where
2025-03-03 16:32:50 -05:00
bc3aafd324
update log files after bugfix to pair_style ylz
2025-03-03 08:06:33 -07:00
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
ea48161a51
update CODEOWNERS
2025-03-01 00:42:43 -05:00
e3b81ec784
cosmetic changes
2025-03-01 00:24:00 -05:00
98159e7c14
improve error detection and messages
2025-03-01 00:22:54 -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
5d02e140d4
There is a wrong equation in the line490, MY_4PI should be MY_PI*zt
2025-02-28 17:43:54 +08:00
f4d2c518e8
make certain variable indices are initialized
2025-02-28 03:43:58 -05:00
c6ebb57b41
make certain that nstyle is always initialized and detect partial variable setups
2025-02-27 23:28:19 -05:00
ef5c797a84
Merge remote-tracking branch 'github/develop' into collected-small-fixes
2025-02-27 23:21:34 -05:00
