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8104f68bc1
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Merge pull request #3963 from mkstoyanov/heffte_integration
Heffte integration
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2023-12-12 17:27:02 -05:00 |
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75c3959cea
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Merge pull request #4006 from Birfy/develop
Fixing typos in fix_nh_uef.rst
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2023-12-12 16:26:16 -05:00 |
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c33d950ac3
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Merge pull request #3869 from jmgoff/compute-pace-update
Compute pace update
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2023-12-12 16:19:41 -05:00 |
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e05751f487
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Update fix_nh_uef.rst
Fixing typo
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2023-12-06 08:14:12 -05:00 |
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30051ec260
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Merge pull request #3858 from jtclemm/new-computes
Adding tools to identify rattlers and measure nonaffine displacement
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2023-12-06 02:51:21 -05:00 |
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c092de9bc3
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Merge pull request #3985 from yury-lysogorskiy/feature/zbl
ACE/ZBL core repulsion (+Kokkos implementation)
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2023-12-06 01:22:06 -05:00 |
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7d8de8301f
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Merge branch 'develop' into compute-pace-update
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2023-12-05 06:05:34 -05:00 |
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250307f7c6
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add description for undocumented Body entries in molecule command
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2023-12-04 21:29:37 -07:00 |
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1f7d262bd7
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add mol keyword to fix rigid doc
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2023-12-04 16:01:39 -07:00 |
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4035291a48
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Merge branch 'develop' into collected-small-changes
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2023-12-02 08:17:11 -05:00 |
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f0d8a70757
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Merge pull request #4002 from akohlmey/moltemplate-howto
Add moltemplate tutorial to HowTo section
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2023-12-02 07:58:09 -05:00 |
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1b282ad3fd
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Merge pull request #4001 from akohlmey/remove-reaxc
Remove "reax/c" alias for sources and examples and require to use "reaxff"
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2023-12-02 02:32:12 -05:00 |
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e41d9cb746
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added explanations about the stock backend to the cmake
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2023-12-01 15:21:23 -05:00 |
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3c331321b3
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update the naming convention
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2023-12-01 15:12:23 -05:00 |
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bc7d0f5d50
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renamed cmake option
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2023-12-01 15:12:23 -05:00 |
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d0ae489dda
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addressed some pr comments
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2023-12-01 15:12:23 -05:00 |
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f75648030f
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document traditional make
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2023-12-01 15:12:23 -05:00 |
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77ad067458
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added documentation
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2023-12-01 15:12:23 -05:00 |
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1f86706710
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make more cases specifying cutoff Rc/r_c consistent
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2023-12-01 05:49:20 -05:00 |
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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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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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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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