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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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1e819efcf8
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update examples for consistency
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2025-03-10 17:11:53 -04:00 |
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01698ddc2e
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improve error messages for easier debugging
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2025-03-10 17:06:37 -04:00 |
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08f8be18e5
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rework SPIN restart/data file examples
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2025-03-10 17:04:16 -04:00 |
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8af31ca28c
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fix minor memory leaks
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2025-03-10 16:04:35 -04:00 |
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9c494d0a25
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include space in custom formats to show how spaces can be used to separate columns
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2025-03-10 13:30:08 -04:00 |
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5a1aed7957
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properly tally the SYNC time contributions to the ALL time entry
this way its contribution is not double counted when determining
the "Other" time data.
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2025-03-10 12:16:51 -04:00 |
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6ff0f645e0
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formatting
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2025-03-10 06:28:45 -04:00 |
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4cafb49c34
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report which variable name was incorrect
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2025-03-10 06:28:28 -04:00 |
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312bdcbddd
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correct and clarify statements about the potentials and their relations to each other
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2025-03-10 06:26:37 -04:00 |
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79d2346eaa
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resolve spelling and formatting issues
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2025-03-10 06:25:11 -04:00 |
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4be39d6d2b
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fix typos
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2025-03-09 22:46:03 -04:00 |
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9ee1648af2
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document removed compute atom/molecule and its equivalent using chunks
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2025-03-09 22:21:51 -04:00 |
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ca3d2de44b
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fix broken URL due to typo
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2025-03-09 22:10:52 -04:00 |
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ce10be7492
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Merge branch 'develop' into collected-small-fixes
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2025-03-08 22:28:31 -05:00 |
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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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15b7dd78f0
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Revert "add some more tests for delete_atom"
This reverts commit 2ff078f973.
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2025-03-08 18:00:57 -05:00 |
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e3cf1dec27
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restore original delete_atoms implementation. new version spun off as PR #4492
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2025-03-08 17:52:26 -05:00 |
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388f279633
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set stores_ids flag for some fixes as suggested by @sjplimp
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2025-03-07 12:43:32 -05:00 |
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0a1e3fa26a
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Merge remote-tracking branch 'github/develop' into collected-small-fixes
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2025-03-07 12:34:08 -05:00 |
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976b73a2f2
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fix typo
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2025-03-07 12:05:38 -05:00 |
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9af8fdc91e
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add MPI stub for MPI_Iprobe()
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2025-03-07 11:50:53 -05:00 |
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24fc6eb10a
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modernize error messages
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2025-03-07 11:40:41 -05:00 |
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6e94d83cff
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add option to synchronize fix halt stop requests across multi-partition runs
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2025-03-07 11:40:27 -05:00 |
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2ff078f973
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add some more tests for delete_atom
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2025-03-07 02:24:12 -05:00 |
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7bd7be8f86
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error out when trying unsupported pimd method with multiple processors per bead
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2025-03-07 01:59:41 -05:00 |
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22fa86a1b7
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add "condense" keyword to delete_atoms what will compact the atom IDs while preserving their order
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2025-03-06 20:44:05 -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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9b1dca201f
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rewrite incorrect statement
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2025-03-06 15:45:24 -05:00 |
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46393cc930
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modernize error messages
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2025-03-06 13:15:24 -05:00 |
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916ab55a31
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reverse normalization between type pairs if the types were swapped on input
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2025-03-06 13:15:09 -05:00 |
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09c8dc07d8
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update statements about what packages support and what not
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2025-03-06 11:08:22 -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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abc14c00a0
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use different method to enforce the C locale in LAMMPS GUI
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2025-03-05 17:40:36 -05:00 |
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47cea8e1ba
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use pairwise cutoff for trimming unless a custom cutoff if given
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2025-03-05 04:23:07 -05:00 |
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b433c8cb77
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only trim if neighbor list request has a custom cutoff
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2025-03-05 04:16:13 -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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711d76531f
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Merge remote-tracking branch 'github/develop' into collected-small-fixes
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2025-03-04 23:34:36 -05:00 |
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505d295d16
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small correction
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2025-03-04 23:34:24 -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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cc70b5bb89
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document some internal styles
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2025-03-04 23:15:41 -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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