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6fac8f1688
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remove unused NeighRequest member variable index
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2022-09-22 11:32:14 -04:00 |
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7a27718d87
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Merge remote-tracking branch 'LAMMPS-official/develop' into feature/pace-al
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2022-09-22 17:06:28 +02:00 |
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e99bdeefb8
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remove docs for unexisting command compute pace/extrapolation
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2022-09-22 17:05:13 +02:00 |
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6c9c61e763
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remove debug output
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2022-09-22 10:45:53 -04:00 |
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2b27fd8acb
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address possible initialization issues reported by coverity scan
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2022-09-22 10:34:23 -04:00 |
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4f0cdcbe37
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Merge branch 'develop' into collected-small-changes
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2022-09-22 10:25:20 -04:00 |
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4afa603bcb
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fix_pair.cpp: FixPair::modify_param - change args format (now incl. keyword 'every')
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2022-09-22 12:42:57 +02:00 |
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f149d14abc
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remove debug print statements in fix_pair.cpp
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2022-09-22 12:32:06 +02:00 |
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f132f98d1a
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Merge remote-tracking branch 'LAMMPS-official/fix-pair-min-tweak' into feature/pace-al
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2022-09-22 11:31:56 +02:00 |
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b4bc780c76
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Merge branch 'lammps:develop' into mliappy_unified
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2022-09-22 02:14:54 -06:00 |
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13b34a9d69
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Merge pull request #3448 from jtclemm/BPM
Updates to BPM package
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2022-09-21 20:02:40 -04:00 |
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90212a6c35
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Merge branch 'BPM' of github.com:jtclemm/lammps into BPM
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2022-09-21 15:28:35 -06:00 |
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fc969bc99b
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Adding parentheses to logic statement in fix update/special/bonds
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2022-09-21 15:28:23 -06:00 |
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39763444c5
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add lasttime check to fix pair
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2022-09-21 14:03:04 -06:00 |
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0343ad09ea
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additional formatting updates
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2022-09-21 15:58:12 -04:00 |
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ad76bb2997
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Merge branch 'patch-2' into collected-small-changes
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2022-09-21 15:52:29 -04:00 |
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51b323fc76
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Fixing typo in pair_gayberne.rst
Fixing typo in the documentation
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2022-09-21 20:01:38 +02:00 |
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7c2013d862
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silence compiler warnings
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2022-09-21 10:01:53 -04:00 |
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83b36f7e4b
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fix some minor documentation issues
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2022-09-21 09:41:55 -04:00 |
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1ef2c8c5dc
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improving the energy computation model in SPIN/compute_spin.cpp
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2022-09-21 10:06:41 +02:00 |
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7e8e40fefa
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correcting memory issue in SPIN/compute_spin.cpp
removing incorrect line in compute_property_atom.cpp
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2022-09-21 09:34:30 +02:00 |
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62b0024425
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removing small bug in compute_atom_property.cpp
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2022-09-20 19:07:38 +02:00 |
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293a70b719
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JT190922, C1:
- correction of a memory issue in compute_spin.cpp
- correction of the Langevin calculation in fix_langevin_spin.cpp
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2022-09-19 09:02:00 +02:00 |
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72fab8d5f5
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must depend on libflammps so that there is no race condition
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2022-09-18 16:35:28 -04:00 |
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8d6629cb80
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update MDI library to version 1.4.12 which plugs memory leaks on initialization
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2022-09-18 11:04:57 -04:00 |
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43998570d1
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Remove optional toggle from pair style commands
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2022-09-16 14:10:58 -06:00 |
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1655aba5f3
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Add masses back and change pickle paths
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2022-09-16 14:08:19 -06:00 |
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35c4b791f8
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Add MLIAP Unified LJ example logs
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2022-09-16 02:53:42 -06:00 |
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2d81980de1
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Merge branch 'lammps:develop' into fortran-tinkering
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2022-09-15 21:33:51 -05:00 |
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fc7e39be05
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Fixing overlooked merge conflict in dump_modify.rst
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2022-09-15 16:13:53 -06:00 |
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85bbc4ae47
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Clarifying documentation on use of store/local BPM option
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2022-09-15 16:08:33 -06:00 |
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f764260c53
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Removing BPM bond coefficients from data files
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2022-09-15 15:47:31 -06:00 |
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211d5c468e
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fixing merge conflicts
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2022-09-15 14:49:21 -06:00 |
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e745c8aac4
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Merge pull request #3446 from akohlmey/next-patch-release
Update versions strings for the next patch release
patch_15Sep2022
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2022-09-15 12:33:37 -04:00 |
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3bf7712edf
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Merge pull request #3444 from lammps/sticker-bond-test
Fix bond/swap upgrade with more randomization of bond selection
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2022-09-15 11:11:23 -04:00 |
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3770c02752
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fix typo
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2022-09-15 09:22:20 -04:00 |
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5f2445f215
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Merge branch 'develop' into sticker-bond-test
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2022-09-15 09:20:58 -04:00 |
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c31542fecb
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Merge pull request #3369 from lammps/fix-pair-dump-skip
Fix pair plus dump skip
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2022-09-15 09:06:37 -04:00 |
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3989aa4dab
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BUGFIX: use triggername[ifield] instead of triggername[nfield]
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2022-09-15 11:50:38 +02:00 |
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797a45232c
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Merge branch 'fix-pair-dump-skip' into feature/pace-al
# Conflicts:
# src/fix_pair.cpp
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2022-09-15 11:07:24 +02:00 |
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e89899955b
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Merge branch 'lammps:develop' into mliappy_unified
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2022-09-15 03:01:03 -06:00 |
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aae96b9cb0
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fix multiple typesetting issues and make consistent
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2022-09-14 23:26:01 -04:00 |
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e4575aec3c
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One fix after running fix-whitespace
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2022-09-14 21:14:13 -05:00 |
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72573987fa
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I wrote unit tests for all the Fortran interface commands in this pull request
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2022-09-14 21:07:32 -05:00 |
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2997fff361
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update version strings
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2022-09-14 16:48:33 -04:00 |
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69034167b8
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update versions strings for the next patch release
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2022-09-14 16:29:10 -04:00 |
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a52c4a5537
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improve error messages
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2022-09-14 14:35:57 -04:00 |
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e415eddee5
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spelling and improved consistency with other doc pages
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2022-09-14 14:34:45 -04:00 |
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15bc70ae4d
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Merge branch 'develop' into fix-pair-dump-skip
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2022-09-14 14:01:42 -04:00 |
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83224f631d
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Merge pull request #3445 from akohlmey/doc-fixes
Reorder punctuation and quotation characters in manual for clarity
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2022-09-14 13:58:28 -04:00 |
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