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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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79c047487d
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fix parallel execution bug for shell command
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2022-03-24 07:38:44 -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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ac5acb9abf
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update threebody example
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2022-03-24 07:31:02 -04:00 |
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87fbbd3b13
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small kokkos fixes from upstream
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2022-03-24 07:18:24 -04:00 |
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8ac0ec6473
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Changes needed to compile LAMMPS with latest Kokkos develop
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2022-03-24 06:09:03 -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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6e959b6f43
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more robust response to >COORDS command
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2022-03-23 17:21:00 -06:00 |
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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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66f97ef6bc
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whitespace
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2022-03-23 17:22:46 -04:00 |
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a4018dbb4b
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update MDI library to version 1.3.0
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2022-03-23 17:18:19 -04:00 |
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92a968a8a9
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Resolving merge conflicts
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2022-03-23 14:28:27 -06:00 |
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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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42dd772455
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more work on plugin mode
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2022-03-23 13:45:20 -06:00 |
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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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9417e41676
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Rename sphere/bpm, remove bond instance, add smooth option
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2022-03-23 11:41:27 -06:00 |
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c4425a1b0e
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debugging plugin mode
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2022-03-23 11:17:51 -06:00 |
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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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ace6c67697
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Copy .h & .cpp from compute_fep for comparison
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2022-03-23 22:26:44 +08:00 |
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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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8acba74c4d
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correct input to load potential file from local folder
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2022-03-22 22:32:39 -04:00 |
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34bcbdf41d
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update extep potential file
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2022-03-22 22:31:48 -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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1ee40f8f8f
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change to tests
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2022-03-22 11:11:43 -06:00 |
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194751e800
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add support for full minimizations
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2022-03-22 09:32:31 -06:00 |
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eb44b6b1fa
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Merge branch 'develop' into mdi-expand
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2022-03-22 08:39:24 -06:00 |
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6555c7302d
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debugging for series of calcs
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2022-03-22 08:38:39 -06:00 |
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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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2e539918c1
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slight change in __init__.py to fix *.a bug
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2022-03-21 22:55:28 -07:00 |
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862e4ba67a
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Added different pytorch modules that allow different handling of element types and proposal for __init__.py bug fix
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2022-03-21 22:45:28 -07:00 |
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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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643511294e
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create fix for rotational viscous damping on spheres. create fix for Cundall type damping for granular simulations
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2022-03-21 15:34:04 -05:00 |
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