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7249aea5e5
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error out when no per-type masses are set. warn if both per-type and per-atom masses are used.
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2023-11-27 07:47:08 -05:00 |
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1d25862146
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update documentation for the fact that exceptions in LAMMPS are always used
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2023-11-26 13:11:18 -05:00 |
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b90d63a192
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add versionaddded tag for new feature
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2023-11-26 11:00:02 -05:00 |
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7ac5f590ee
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Merge branch 'develop' into collected-small-changes
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2023-11-25 22:36:39 -05:00 |
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e3ba19c145
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Merge branch 'develop' into variable-custom-atom-properties
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2023-11-25 06:42:38 -05:00 |
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b4c09a3d65
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Merge branch 'develop' into collected-small-changes
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2023-11-25 02:57:03 -05:00 |
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4380806a30
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Merge pull request #3987 from lammps/variable-ternary-function
Add a ternary math function to equal- and vector- and atom-style variables
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2023-11-25 02:56:27 -05:00 |
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09acf1b409
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add versionadded tag
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2023-11-23 19:56:51 -05:00 |
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a76b02dd57
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correct broken link
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2023-11-23 19:53:12 -05:00 |
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0f5d24cd1a
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fix table format
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2023-11-23 16:21:41 -05:00 |
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4cf8045f81
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add check and document that "scale yes" is not supported for scaling atomic parameters with fix adapt/fep
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2023-11-23 12:37:49 -05:00 |
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961cbfbe10
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add custom atom property refs to variable syntax
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2023-11-22 22:40:58 -07:00 |
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85ac2dc5fd
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correct formatting of table
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2023-11-22 19:52:44 -05:00 |
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0dd19b2cbf
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doc page update
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2023-11-22 15:25:19 -07:00 |
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83f91d4ac7
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Update docs
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2023-11-21 18:50:13 -07:00 |
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11305107d9
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update release date to 21 November 2023
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2023-11-19 05:40:05 -05:00 |
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2c670e8d44
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update version strings to 17 Nov 2023
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2023-11-17 08:25:44 -05:00 |
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9a432341f9
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Merge pull request #3970 from Yi-FanLi/numerial_propagation
fix pimd/langevin: add support for plain integrators without normal mode transformation
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2023-11-17 08:08:33 -05:00 |
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44b126a87d
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correct typo and link in body particles doc
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2023-11-16 10:35:02 -07:00 |
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be02ef3a53
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fix broken link
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2023-11-12 04:43:17 -05:00 |
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6850aacc55
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doc tweaks
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2023-11-11 06:09:15 -05:00 |
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ca7242bf41
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Merge branch 'develop' into numerial_propagation
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2023-11-11 06:05:22 -05:00 |
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9a65bd4e3b
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update document for method=pimd
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2023-11-11 04:10:31 -05:00 |
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beea2a6ee1
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Merge branch 'develop' into collected-small-fixes
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2023-11-10 10:57:08 -05:00 |
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23ae4a34b3
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Merge pull request #3958 from jrgissing/fix_deposit-var-keyword
Fix deposit var keyword
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2023-11-10 10:56:21 -05:00 |
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3d3b07f0d4
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consolidate nb3b pair style docs
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2023-11-03 22:39:42 -04:00 |
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bee1b66365
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Merge branch 'develop' into collected-small-fixes
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2023-11-01 17:57:56 -04:00 |
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45582fee07
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Merge pull request #3960 from akohlmey/nb3b-screened
New pair_style nb3b/screened
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2023-11-01 14:57:00 -04:00 |
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e04dfc55bd
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replace UTF-8 characters with their ASCII counterparts
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2023-10-30 23:24:54 -04:00 |
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14f8d99894
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update ReaxFF force field info and remove references to reax and reax/c pair styles
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2023-10-30 23:21:46 -04:00 |
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afa149ba1a
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Merge remote-tracking branch 'github/develop' into collected-small-fixes
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2023-10-30 12:25:18 -04:00 |
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6056941688
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add pair_style nb3b/screened by Federica Lodesani
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2023-10-30 11:28:45 -04:00 |
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d4ee6f476c
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var/set docs for fix_deposit
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2023-10-29 16:13:12 -04:00 |
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db91f9413d
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docs
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2023-10-28 13:41:42 -04:00 |
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c02782413f
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Merge remote-tracking branch 'github/develop' into collected-small-fixes
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2023-10-26 20:35:36 -04:00 |
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7051852f8f
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Merge pull request #3947 from evoyiatzis/patch-7
Enable definition of cone region using equal variables
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2023-10-26 20:07:09 -04:00 |
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ed4ae0a26c
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find more misformatted references in ReST sources
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2023-10-26 04:46:33 -04:00 |
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5e402c76c2
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Merge remote-tracking branch 'github/develop' into collected-small-fixes
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2023-10-26 04:42:24 -04:00 |
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ea744ac8f9
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fix typos
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2023-10-25 11:17:24 -06:00 |
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ceed4c7db8
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for consistency with CMake 3.12+ we should set Python_EXECUTABLE instead of PYTHON_EXECUTABLE
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2023-10-24 07:51:54 -04:00 |
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22cc6bf0b3
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provide example python code for reading a YAML dump file
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2023-10-22 20:01:23 -04:00 |
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e518637d63
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avoid invalid escape warnings for regexp expressions with python 3.12
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2023-10-22 20:00:33 -04:00 |
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fd05acec2f
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fix spelling
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2023-10-20 20:54:05 -04:00 |
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4aedba058c
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Merge branch 'develop' into fix-srd-doc-page
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2023-10-20 20:47:17 -04:00 |
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654a410b8c
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update refs on fix srd doc page
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2023-10-20 12:59:36 -06:00 |
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291defb453
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update refs on fix srd doc page
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2023-10-20 12:57:19 -06:00 |
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b22d0afd97
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Update region.rst
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2023-10-20 13:41:00 +03:00 |
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4c980eec91
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correct table formatting
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2023-10-17 20:52:13 -04:00 |
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f0801338f3
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Merge pull request #3846 from lammps/triclinic-neighbor-bug
Fix occasional bug in neighbor list build for triclinic geometries due to round off
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2023-10-17 19:36:43 -04:00 |
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51f0c9eac4
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Merge branch 'develop' of github.com:lammps/lammps into triclinic-neighbor-bug
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2023-10-16 12:18:04 -06:00 |
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