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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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d4fe21f34d
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update pair_pace.rst documentation page
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2023-11-25 23:37:01 +01:00 |
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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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ab31a532e2
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Possibility to compute bispectrum on a fixed target number of neighbors using compute_sna_atom for crystal structure classification purpose. Add of a compute_slcsa_atom compute style that takes the newly computed bispectrum as an input and performs dimension reduction + logistic regression classification. Documentation has been modified/added and code cleaned.
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2023-11-24 19:09:30 +01:00 |
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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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e1c028c785
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Update documentation
Describe the arguments for cone indenter style
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2023-11-23 16:02:22 +02:00 |
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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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9fae8a2c2d
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Merge branch 'develop' into general-triclinic
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2023-11-21 15:21:16 -07:00 |
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18c5cdb327
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doc page for thermo output difference with triclinic/general
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2023-11-21 15:03:32 -07:00 |
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a5cc181358
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Start with compute reaxff/atom documentation
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2023-11-21 14:03:10 -07:00 |
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dfafdff209
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finalized dump command support for general triclinic
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2023-11-20 12:06:58 -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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92b02041cb
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more edits on create_atoms doc page
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2023-11-18 17:16:29 -07:00 |
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56b2c7ed46
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alter how lattice interacts with create_box and create_atoms for general triclinic
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2023-11-17 17:10:45 -07:00 |
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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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4ccd59af80
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another doc tweak for 2d
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2023-11-16 16:37:43 -07:00 |
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4057ee3d62
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more doc page updates for general tri
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2023-11-16 16:35:16 -07:00 |
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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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fc5803188f
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doc page for write_data
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2023-11-15 09:29:04 -07:00 |
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f512a37173
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add versionadded tag
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2023-11-15 10:45:37 -05:00 |
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4760c02182
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Merge branch 'develop' into compute-pace-update
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2023-11-15 10:29:19 -05:00 |
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a0a21fab64
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changes for body particles in general triclinic
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2023-11-14 17:03:56 -07:00 |
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4da49c6d85
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more updates to doc page and read_data functionality
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2023-11-13 15:22:17 -07:00 |
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a651697d2e
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Mix eta in Electrode package
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2023-11-13 14:41:13 +01:00 |
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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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e57079768f
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update some doc pages
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2023-11-09 17:58:12 -07:00 |
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612a919e93
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more work on read_data and doc pages
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2023-11-06 16:56:33 -07:00 |
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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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de037f5bd8
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Merge branch 'develop' into general-triclinic
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2023-11-03 14:53:17 -06:00 |
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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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7a148688d5
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Merge branch 'develop' into general-triclinic
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2023-10-31 16:19:58 -06:00 |
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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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