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0d3f111627
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use r_c consistently
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2023-12-01 05:43:42 -05:00 |
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42ac8a9e9b
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use r_c consistently
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2023-12-01 05:36:25 -05:00 |
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e3574e84ec
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correct spelling of r_c
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2023-12-01 04:31:06 -05:00 |
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14d08f0284
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recreate compute xrd mesh image with reasonable dpi setting and used PNG format
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2023-12-01 00:37:42 -05:00 |
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28e22862c8
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reformat
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2023-11-30 16:57:43 -05:00 |
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9aaa38d912
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mention tutorial files location
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2023-11-30 16:48:19 -05:00 |
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f6b644388c
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add moltemplate tutorial to HowTo section
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2023-11-30 16:41:19 -05:00 |
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6c992ee511
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rearrange and rewformulate content of the tip4p pair style docs to make it more obvious
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2023-11-30 14:53:24 -05:00 |
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a377f2a271
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document removal of "reax/c" aliases for ReaxFF pair styles and fixes
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2023-11-30 05:39:50 -05:00 |
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368ea39816
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fully integrate additions into distribution
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2023-11-29 02:12:23 -05:00 |
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918cddfb90
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reformat to conform to LAMMPS writing style
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2023-11-29 02:11:44 -05:00 |
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d39cd265ae
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make citations consistent
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2023-11-29 02:11:18 -05:00 |
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a38fade483
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whitespace fixes
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2023-11-29 01:35:49 -05:00 |
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28a89100e8
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Merge branch 'develop' into snann_slcsa
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2023-11-29 01:34:17 -05:00 |
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f36f846e19
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Merge branch 'develop' into mlquip
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2023-11-28 09:23:53 -05:00 |
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8c34f7f7b8
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switched 2D array out for scalar, and updated documentation
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2023-11-28 11:37:59 +00:00 |
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87c9891c07
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Merge remote-tracking branch 'public-lammps/develop' into feature/zbl
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2023-11-28 09:13:37 +01:00 |
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4fd63612f8
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correct misformatted tables
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2023-11-27 23:21:13 -05:00 |
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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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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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