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828f5b9a77
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avoid uninitialized data access
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2024-12-06 15:31:00 -05:00 |
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aaa8431919
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add comment to sync this file with the corresponding page of the LAMMPS homepage
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2024-12-06 11:40:11 -05:00 |
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2eb3084a8c
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add "Original author" tag to Steve's name
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2024-12-06 11:17:45 -05:00 |
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dc3a100141
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remove unused variables
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2024-12-05 08:58:02 -05:00 |
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cd16308d71
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Merge pull request #4389 from akohlmey/collected-small-changes
Collected small changes and fixes
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2024-11-27 14:27:14 -05:00 |
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6102350eed
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shorten
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2024-11-27 12:10:56 -05:00 |
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7c87874f5e
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improve expanded fix external docs
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2024-11-27 01:55:11 -05:00 |
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ef4b070e6f
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fix typo
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2024-11-27 01:45:42 -05:00 |
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3f78ee72c6
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get access to the applied external force from the fix
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2024-11-24 22:25:38 -05:00 |
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6c333837e0
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Merge branch 'develop' into collected-small-changes
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2024-11-21 02:57:08 -05:00 |
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43fbdc2d93
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Merge pull request #4388 from lichanghao/dump_image_bug_fix
Fixed a indexing bug in dump_image.cpp causing segmentation fault with body style particles
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2024-11-21 01:18:02 -05:00 |
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30349d2a48
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correct version header
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2024-11-20 11:50:13 -05:00 |
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7259082cbc
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flag development version
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2024-11-20 11:17:14 -05:00 |
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4296db4991
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add link with more explanation to the illegal variable errors
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2024-11-20 11:15:12 -05:00 |
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8ba0d7bece
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more updates to release process
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2024-11-20 10:21:00 -05:00 |
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53b2930ef4
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modified dump_image.cpp, line 1100, fixed an indexing bug causing rendering error
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2024-11-19 23:50:50 -05:00 |
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e6ed911be2
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Merge pull request #4387 from akohlmey/next_release
Step version strings for next release
patch_19Nov2024
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2024-11-19 14:02:02 -05:00 |
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e200d557ec
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replace static with const for compatibility with SYCL
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2024-11-19 13:16:22 -05:00 |
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c50a8d83d1
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New release date 19 November 2024
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2024-11-19 02:13:54 -05:00 |
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c926bfd156
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start documenting individual steps for a LAMMPS release
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2024-11-19 02:05:49 -05:00 |
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2ac0d065a7
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step version strings for next release
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2024-11-19 02:05:49 -05:00 |
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cf05700897
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Merge pull request #4382 from jtclemm/small-patches
Minor clean up to doc conventions and dev workflow files
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2024-11-17 22:17:46 -05:00 |
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48c27365ee
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Merge pull request #4383 from akohlmey/collected-small-changes
Collected small changes and fixes
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2024-11-17 22:15:36 -05:00 |
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18329ac86a
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avoid memory leaks
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2024-11-17 12:14:28 -05:00 |
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a635f20b1b
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whitespace
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2024-11-17 12:14:14 -05:00 |
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07a8806fd0
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fix typo
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2024-11-17 12:14:07 -05:00 |
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f7b87a21c7
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apply special treatment for fix colvars/kk as suggested by @stanmoore1
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2024-11-16 11:14:18 -05:00 |
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b3f88da939
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document KOKKOS restriction of fix spring/self
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2024-11-15 15:22:19 -05:00 |
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35f1fb9d6d
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check equal style variable evaluation for bad values
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2024-11-15 15:12:56 -05:00 |
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ec129f167e
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error out in fix spring/self/kk with variable spring constant
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2024-11-15 14:33:25 -05:00 |
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bca2c4d245
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add missing initializers
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2024-11-15 14:26:10 -05:00 |
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72b649ec2b
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whitespace
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2024-11-15 14:14:53 -05:00 |
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4dd1448dd0
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support providing spring constant as equal or atom style variable
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2024-11-15 14:12:19 -05:00 |
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ae1c5651ef
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accept qtpie/reaxff also for reaxff/omp
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2024-11-15 13:27:28 -05:00 |
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55f53f06ba
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use utils::open_potential for gaussian exponent file
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2024-11-15 13:27:11 -05:00 |
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70f41341c9
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add unit test for qtpie/reaxff
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2024-11-15 13:26:34 -05:00 |
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cf5c42889d
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avoid dereferencing reaxff object when no reaxff pair style in use
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2024-11-15 13:01:23 -05:00 |
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9a096f295f
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update/correct code owners list
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2024-11-15 11:06:38 -05:00 |
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38d53877c5
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move citeme call(s) to places where labelmaps are used
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2024-11-15 11:01:19 -05:00 |
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6796dc34ad
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clang-format
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2024-11-15 10:42:30 -05:00 |
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0f70c528a1
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avoid access to uninitialized per-atom data to make valgrind happy
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2024-11-15 10:42:21 -05:00 |
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74fea8ae08
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must initialize copymode in base class
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2024-11-15 06:24:29 -05:00 |
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0f9f80ad45
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update for fix colvars/kk
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2024-11-14 15:32:07 -05:00 |
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e3e502f095
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add note that pair_coeff settings used for fix adapt must be set explicitly
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2024-11-14 15:26:46 -05:00 |
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9c290a0fac
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Minor edits to workflow doc
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2024-11-14 08:22:13 -05:00 |
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c06cab2696
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extra space
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2024-11-14 08:22:13 -05:00 |
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d8bd1ae3b8
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adding hyperlink
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2024-11-14 08:22:13 -05:00 |
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a06275d18e
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Pesky backticks
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2024-11-14 08:22:13 -05:00 |
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4dbb5ade76
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avoid crashes with 180 degree angles
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2024-11-14 08:22:07 -05:00 |
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e192c4d583
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Minor edits to workflow doc
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2024-11-13 09:11:22 -07:00 |
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