51c41f09bf
recover unit tests for variables
2022-03-28 09:21:25 -04:00
d7f95da8f3
add extract_setting special function to variable command
2022-03-28 08:00:29 -04:00
4545954385
reformat for wider lines
2022-03-28 07:24:51 -04:00
ff107315cb
need to always extract the path to MPI include directory
2022-03-26 23:20:57 -04:00
980b6cada7
update formatting
2022-03-26 10:55:10 -04:00
36444a1db1
add DOI for 29 September 2021 version
2022-03-26 10:48:45 -04:00
58f59197ff
silence warnings from coverity scan
2022-03-25 05:30:01 -04:00
5663a9c38b
print current LAMMPS version number in configuration summary
2022-03-24 17:07:45 -04:00
4e180bc237
update URL for downloading old LAMMPS versions
2022-03-24 17:02:07 -04:00
08bdaf8ca7
Merge pull request #3184 from akohlmey/next_patch_release
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Update version strings for next patch release
2022-03-24 14:27:29 -04:00
82f4487d4d
Merge pull request #3185 from akohlmey/collected-small-changes
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Final small changes for patch release
2022-03-24 13:25:01 -04:00
82c5c622b8
fix temperature initialization bug in KOKKOS nose-hoover code
2022-03-24 11:44:02 -04:00
81d0165c5c
Merge pull request #3181 from jibril-b-coulibaly/new_damp
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Damping fixes for finite-size particles simulations
2022-03-24 11:08:02 -04:00
4278ff8205
update threebody example
2022-03-24 07:32:30 -04:00
383f0adc94
update version strings for patch release
2022-03-23 19:44:14 -04:00
d8d12ccf1c
Merge pull request #3180 from akohlmey/strtok-parsing-refactor
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Refactor files to replace parsing with strtok() to use tokenizer classes
2022-03-23 19:40:39 -04:00
a3beb063a3
update and simplify parsing of STL mesh using LAMMPS utilities
2022-03-23 18:41:17 -04:00
07cec37786
add Note to damping/cundall documentation about fix order. Remove fix order warning from fix viscous/sphere
2022-03-23 14:59:43 -05:00
f95aaf5898
update settings
2022-03-23 15:15:51 -04:00
d785483c4c
update potential file parsing in pair style meam/spline and meam/sw/spline
2022-03-23 15:09:31 -04:00
61f28aea36
add "rewind()" member function to Text and Potential file reader classes
2022-03-23 14:44:50 -04:00
67329b6fff
fix KOKKOS bug
2022-03-23 14:40:17 -04:00
2ab9aa3cdc
dummy commit to trigger resolving github inconsistency
2022-03-23 11:16:54 -04:00
59eca42127
synchronize format handling and fix/compute/variable checking with dump custom
2022-03-23 10:57:52 -04:00
a208f1fc39
minor tweak to one style thermo output for keeping columns straight
2022-03-23 10:48:15 -04:00
ae41996967
add support for determining damping scale factor from atom-style variable
2022-03-23 10:43:26 -04:00
1fd699d279
enable and apply clang-format
2022-03-23 05:06:15 -04:00
b6e37c828e
move fix viscous/sphere to EXTRA-FIX package
2022-03-23 05:02:32 -04:00
e247c1a4d0
update related commands
2022-03-23 04:57:49 -04:00
4a5f5b9980
Merge remote-tracking branch 'github/develop' into new_damp
2022-03-23 04:47:52 -04:00
23461d4ba8
spelling
2022-03-23 04:47:48 -04:00
9d500280c9
more tweaks for extep potential file
2022-03-22 22:21:23 -04:00
c18236216b
add MPI_Group_free() support to STUBS
2022-03-22 21:54:36 -04:00
0bd8500da3
whitespace
2022-03-22 21:47:26 -04:00
31f0d5c056
Merge remote-tracking branch 'github/develop' into strtok-parsing-refactor
2022-03-22 21:44:15 -04:00
8ef9eae60a
update potential file parser in pair style extep
2022-03-22 21:43:26 -04:00
080662683d
use tokenizer to read neb initial replica files
2022-03-22 20:54:42 -04:00
3e7de83e6e
Merge pull request #3179 from akohlmey/thermo-refactor-plus-yaml
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Refactoring of Thermo class and new thermo style yaml
2022-03-22 20:17:25 -04:00
4c13f99b04
convert to use LAMMPS' tokenizer and potential file reader classes
2022-03-22 17:59:53 -04:00
d3ba1af89c
rename cundamp to damping/cundall
2022-03-22 09:01:53 -05:00
8954ac4f20
correct/simplify for GPU device specialization
2022-03-21 17:12:43 -04:00
643511294e
create fix for rotational viscous damping on spheres. create fix for Cundall type damping for granular simulations
2022-03-21 15:34:04 -05:00
4c1a6d7ecf
tweak settings for thermo style "one"
2022-03-21 14:44:07 -04:00
6c30bdf082
add missing reaxff files to purge list
2022-03-21 14:35:09 -04:00
bc86bdf984
use tokenizer in fix phonon
2022-03-20 21:54:58 -04:00
4c95314ea6
must set boxflag *after* checking for rigid fix because we might change the box ourselves
2022-03-20 21:25:26 -04:00
550ae15dff
proper handle partial initialization from infile
2022-03-20 21:12:35 -04:00
89c7d8f707
replace strtok based file reader with ValueTokernizer
2022-03-20 16:34:41 -04:00
adf4a23f58
refactor and apply clang-format
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- replace file reader code using TextFileReader and ValueTokenizer
- replace traversing list of fixes with accessor functions
- enable and apply clang-format
- add examples for reading rigid bodies from file
2022-03-20 15:28:31 -04:00
356555418d
remove dead code
2022-03-20 00:41:26 -04:00
