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d80fe166d1
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Merge branch 'develop' into collected-small-changes
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2022-03-28 16:30:01 -04:00 |
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438cba3604
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update programming style to latest conventions, enable and apply clang-format
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2022-03-28 16:26:55 -04:00 |
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63caa8bb44
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reorder so that kspace follows improper and comes before compute
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2022-03-28 15:12:25 -04:00 |
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120c080fc2
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avoid converting a null pointer to a std::string and correct error check
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2022-03-28 15:07:23 -04:00 |
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9920b22509
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programming style updates
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2022-03-28 15:06:55 -04:00 |
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cd8cdc711c
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Merge pull request #3189 from CDenniston/develop
remove defunct LBtype argument from lb/fluid doc
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2022-03-28 14:12:00 -04:00 |
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540cf9b6d7
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Merge pull request #3188 from njzjz/kspace_plugin
support kspace style plugin
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2022-03-28 11:58:40 -04:00 |
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51c41f09bf
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recover unit tests for variables
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2022-03-28 09:21:25 -04:00 |
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d7f95da8f3
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add extract_setting special function to variable command
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2022-03-28 08:00:29 -04:00 |
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4545954385
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reformat for wider lines
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2022-03-28 07:24:51 -04:00 |
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c52bffda9c
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remove defunct LBtype argument from lb/fluid doc
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2022-03-27 11:26:23 -04:00 |
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ff107315cb
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need to always extract the path to MPI include directory
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2022-03-26 23:20:57 -04:00 |
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980b6cada7
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update formatting
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2022-03-26 10:55:10 -04:00 |
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36444a1db1
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add DOI for 29 September 2021 version
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2022-03-26 10:48:45 -04:00 |
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356091e1e0
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support kspace plugin
I need such feature in the development of deepmd-kit.
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2022-03-26 03:39:07 -04:00 |
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58f59197ff
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silence warnings from coverity scan
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2022-03-25 05:30:01 -04:00 |
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5663a9c38b
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print current LAMMPS version number in configuration summary
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2022-03-24 17:07:45 -04:00 |
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4e180bc237
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update URL for downloading old LAMMPS versions
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2022-03-24 17:02:07 -04:00 |
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08bdaf8ca7
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Merge pull request #3184 from akohlmey/next_patch_release
Update version strings for next patch release
patch_24Mar2022
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2022-03-24 14:27:29 -04:00 |
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82f4487d4d
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Merge pull request #3185 from akohlmey/collected-small-changes
Final small changes for patch release
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2022-03-24 13:25:01 -04:00 |
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82c5c622b8
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fix temperature initialization bug in KOKKOS nose-hoover code
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2022-03-24 11:44:02 -04:00 |
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81d0165c5c
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Merge pull request #3181 from jibril-b-coulibaly/new_damp
Damping fixes for finite-size particles simulations
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2022-03-24 11:08:02 -04:00 |
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4278ff8205
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update threebody example
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2022-03-24 07:32:30 -04:00 |
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383f0adc94
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update version strings for patch release
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2022-03-23 19:44:14 -04:00 |
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d8d12ccf1c
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Merge pull request #3180 from akohlmey/strtok-parsing-refactor
Refactor files to replace parsing with strtok() to use tokenizer classes
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2022-03-23 19:40:39 -04:00 |
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a3beb063a3
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update and simplify parsing of STL mesh using LAMMPS utilities
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2022-03-23 18:41:17 -04:00 |
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07cec37786
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add Note to damping/cundall documentation about fix order. Remove fix order warning from fix viscous/sphere
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2022-03-23 14:59:43 -05:00 |
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f95aaf5898
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update settings
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2022-03-23 15:15:51 -04:00 |
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d785483c4c
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update potential file parsing in pair style meam/spline and meam/sw/spline
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2022-03-23 15:09:31 -04:00 |
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61f28aea36
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add "rewind()" member function to Text and Potential file reader classes
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2022-03-23 14:44:50 -04:00 |
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67329b6fff
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fix KOKKOS bug
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2022-03-23 14:40:17 -04:00 |
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2ab9aa3cdc
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dummy commit to trigger resolving github inconsistency
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2022-03-23 11:16:54 -04:00 |
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59eca42127
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synchronize format handling and fix/compute/variable checking with dump custom
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2022-03-23 10:57:52 -04:00 |
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a208f1fc39
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minor tweak to one style thermo output for keeping columns straight
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2022-03-23 10:48:15 -04:00 |
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ae41996967
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add support for determining damping scale factor from atom-style variable
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2022-03-23 10:43:26 -04:00 |
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1fd699d279
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enable and apply clang-format
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2022-03-23 05:06:15 -04:00 |
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b6e37c828e
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move fix viscous/sphere to EXTRA-FIX package
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2022-03-23 05:02:32 -04:00 |
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e247c1a4d0
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update related commands
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2022-03-23 04:57:49 -04:00 |
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4a5f5b9980
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Merge remote-tracking branch 'github/develop' into new_damp
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2022-03-23 04:47:52 -04:00 |
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23461d4ba8
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spelling
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2022-03-23 04:47:48 -04:00 |
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9d500280c9
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more tweaks for extep potential file
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2022-03-22 22:21:23 -04:00 |
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c18236216b
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add MPI_Group_free() support to STUBS
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2022-03-22 21:54:36 -04:00 |
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0bd8500da3
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whitespace
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2022-03-22 21:47:26 -04:00 |
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31f0d5c056
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Merge remote-tracking branch 'github/develop' into strtok-parsing-refactor
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2022-03-22 21:44:15 -04:00 |
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8ef9eae60a
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update potential file parser in pair style extep
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2022-03-22 21:43:26 -04:00 |
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080662683d
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use tokenizer to read neb initial replica files
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2022-03-22 20:54:42 -04:00 |
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3e7de83e6e
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Merge pull request #3179 from akohlmey/thermo-refactor-plus-yaml
Refactoring of Thermo class and new thermo style yaml
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2022-03-22 20:17:25 -04:00 |
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4c13f99b04
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convert to use LAMMPS' tokenizer and potential file reader classes
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2022-03-22 17:59:53 -04:00 |
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d3ba1af89c
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rename cundamp to damping/cundall
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2022-03-22 09:01:53 -05:00 |
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8954ac4f20
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correct/simplify for GPU device specialization
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2022-03-21 17:12:43 -04:00 |
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