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5331fa7a58
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fix documentation issues (spelling, references, non-ASCII chars)
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2022-07-04 19:09:56 -04:00 |
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de08609634
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add join_words() utility function
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2022-07-04 18:26:59 -04:00 |
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e4c798674f
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Merge branch 'develop' into amoeba-ak
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2022-07-02 22:02:07 -04:00 |
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57a569eb3b
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Merge remote-tracking branch 'github/amoeba' into amoeba-ak
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2022-07-02 21:58:15 -04:00 |
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8e4b3fd41b
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Merge pull request #3328 from stanmoore1/kk_meam_release
Add Kokkos version of pair MEAM
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2022-07-02 03:51:51 -04:00 |
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4012897bff
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whitespace fixes and clang-format
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2022-07-01 21:19:12 -04:00 |
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146b00c395
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Merge pull request #3307 from lammps/fix-mdi-aimd-enhance
MDI package enhancements
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2022-07-01 20:48:40 -04:00 |
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ae7215037d
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Finish porting pair MEAM to Kokkos
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2022-07-01 11:20:51 -06:00 |
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957a8c85a9
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formatting corrections and minor tweaks to the Argon viscosity howto
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2022-07-01 09:26:23 -04:00 |
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41bb5850b3
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Fixed temperature in argon GK example
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2022-07-01 00:36:43 -04:00 |
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bb3cd71e77
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Merge branch 'develop' into collected-small-fixes
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2022-06-29 16:43:47 -04:00 |
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646fe885c2
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Merge branch 'develop' into boolean-bug
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2022-06-29 12:25:44 -04:00 |
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1fabd5a56b
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change boolean = single string to an error
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2022-06-29 07:49:22 -06:00 |
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7317c5de38
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Merge branch 'develop' into collected-small-fixes
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2022-06-29 05:13:24 -04:00 |
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e4e9b2e49a
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more consistency checks
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2022-06-28 16:37:04 -06:00 |
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03962ba0f4
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fix spelling in MDI docs
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2022-06-28 13:58:42 -04:00 |
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141d09ab9b
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Merge branch 'develop' into fix-mdi-aimd-enhance
# Conflicts:
# doc/src/fix_mdi_aimd.rst
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2022-06-28 13:38:43 -04:00 |
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7aabbba7ff
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whitespace
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2022-06-28 13:37:33 -04:00 |
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f65bc76326
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Merge pull request #3305 from athomps/compute-grid-new
Compute grid for ML-SNAP
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2022-06-28 09:00:38 -04:00 |
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b1b580cc04
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Final tidying up
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2022-06-27 17:03:02 -06:00 |
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4de3f7ed69
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intergrate references to dump cfg/uef into the dump command docs
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2022-06-25 06:15:49 -04:00 |
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1817b12332
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Merge branch 'develop' into amoeba
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2022-06-24 17:01:46 -06:00 |
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1c709eb1ef
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udpate doc pages for ELEMENTS command
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2022-06-24 15:31:09 -06:00 |
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1099199e93
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remove any remap related documentation. add paragraph about file compatibility
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2022-06-22 14:22:23 -04:00 |
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9b8c19c1a5
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correct docs about how to get synchronized timings
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2022-06-22 10:24:56 -04:00 |
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b0f4ef8a39
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update docs for noremap option to read_restart
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2022-06-21 20:19:13 -04:00 |
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f831a776be
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correct python example
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2022-06-18 22:25:32 -04:00 |
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eb69bb28b8
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add missing style index entries
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2022-06-17 21:52:57 -04:00 |
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b3fea1cb71
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make spellchecker happy
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2022-06-17 19:48:09 -04:00 |
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86f0a62ee0
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Cleaned up programming style
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2022-06-17 17:16:02 -06:00 |
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06ffed1965
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update doc pages
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2022-06-17 12:11:13 -06:00 |
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ec411df9ec
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Merge branch 'develop' into compute-grid-new
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2022-06-17 12:51:02 -04:00 |
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f27e9941ae
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fix homepage urls, tabs & trailing whitespace, remove errors from headers
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2022-06-17 12:48:24 -04:00 |
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a7c5b5e8fd
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Finsished documentation
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2022-06-16 20:22:40 -06:00 |
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dd3aab0c66
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Merge pull request #3300 from lammps/doc-package-update
Update package affiliation for Zhen Li
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2022-06-16 18:04:45 -04:00 |
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1403a0dd94
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update affilication for Zhen Li
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2022-06-15 08:22:59 -06:00 |
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9842879db1
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fix typos
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2022-06-15 08:14:53 -04:00 |
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34863c6c97
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updates to fix_mdi_qm for multiple sims
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2022-06-14 10:14:36 -06:00 |
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0f5ae6d48c
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remove references to "plugin" options from fix mdi/aimd
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2022-06-13 22:00:36 -04:00 |
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407e015c80
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more doc page edits for enhanced fix mdi/qm command
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2022-06-13 15:46:58 -06:00 |
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8346ae2565
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more edits
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2022-06-10 15:32:41 -06:00 |
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82185046ae
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Merge pull request #3293 from stanmoore1/compute_ave_sphere_atom
Fix issues in compute ave/sphere/atom
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2022-06-10 12:57:35 -04:00 |
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ac48852b2d
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edits to 1st paragraph of description
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2022-06-10 08:30:23 -06:00 |
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204bba6ff7
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new options for fix mdi/aimd
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2022-06-10 08:17:14 -06:00 |
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495418158a
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Clarify doc page
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2022-06-09 15:51:31 -06:00 |
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8427697caf
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Merge branch 'develop' into amoeba
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2022-06-09 13:19:12 -06:00 |
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b6e0d76123
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fix some docs formatting issues
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2022-06-08 12:47:30 -04:00 |
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55fdb7f12a
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update GPU container definitions for CUDA 11.7 and singularity -> apptainer
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2022-06-08 08:19:54 -04:00 |
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5c68fe6e81
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Fix issues in compute ave/sphere/atom
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2022-06-06 15:15:47 -07:00 |
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3af9546b94
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provide README files with pointers to the developer info for plugins
also add a paragraph with information about the ML-PACE plugin to the
plugin developer info docs.
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2022-06-04 11:49:33 -04:00 |
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