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98 Commits

Author SHA1 Message Date
Axel Kohlmeyer 861195130c
incorporate suggested changes to github action from @rbberger 2022-02-08 12:08:28 -05:00
Axel Kohlmeyer 75727ed5af
comment out minimal run test outside of CMake/CTest 2022-02-07 20:52:12 -05:00
Axel Kohlmeyer a56922edc9
include PYTHON package in windows test build 2022-02-03 16:55:26 -05:00
Axel Kohlmeyer 65b198f986
Revert "temporarily switch repo and branch to run on" 
This reverts commit 213259b732.
 2022-01-30 08:48:52 -05:00
Axel Kohlmeyer b17d8b4494
add building and running unit tests 2022-01-30 05:54:35 -05:00
Axel Kohlmeyer 213259b732
temporarily switch repo and branch to run on 2022-01-30 05:54:21 -05:00
Axel Kohlmeyer 2651e4650f
use the new name of the main branch 2021-10-11 23:23:24 -04:00
Axel Kohlmeyer 9cf6b927cb
Merge branch 'master' into collected-small-changes 
# Conflicts:
#	src/REAXFF/fix_reaxff_species.cpp
 2021-10-11 21:24:11 -04:00
Axel Kohlmeyer 64b27fa28e
only run windows compilation action on master branch in lammps repo 2021-10-09 20:54:18 -04:00
Axel Kohlmeyer 5ad7e5a815
correct path to preset file and do two quick runs for checking the binary 2021-10-09 19:55:30 -04:00
Axel Kohlmeyer 2e122ff62b
Add GitHub action compiling LAMMPS with Visual C++ 2021-10-09 19:46:52 -04:00
Axel Kohlmeyer 5059bfe32b
add Stan to Modify class as co-codeowner 2021-10-06 12:09:20 -04:00
Axel Kohlmeyer ad39aa85ab
update style guide and requirements/suggestions for contributions 2021-09-07 19:09:35 -04:00
Axel Kohlmeyer bc91d05857
fix typo 2021-08-22 20:46:58 -04:00
Axel Kohlmeyer 246b70ae46
update codeowners list 2021-07-29 15:56:21 -04:00
Axel Kohlmeyer 878795e64a
bulk rename of remaining USER- packages 2021-06-29 20:12:59 -04:00
Axel Kohlmeyer 6ceedb62be
rename USER-REAXC to REAXFF 2021-06-29 19:37:55 -04:00
Axel Kohlmeyer 1dc25b0e10
rename USER-OMP to OPENMP 2021-06-29 17:48:22 -04:00
Axel Kohlmeyer dc3efd17d2
rename USER-MEAMC to MEAM and pair style meam/c to meam (keeping meam/c as an alias) 2021-06-29 16:59:05 -04:00
Axel Kohlmeyer c582d5b5ce
update path to examples in README files 2021-06-29 15:58:08 -04:00
Axel Kohlmeyer fd24820603
rename USER-PACE to ML-PACE 2021-06-29 15:45:50 -04:00
Axel Kohlmeyer 031e537d3f
rename USER-HDNNP to ML-HDNNP 2021-06-29 15:38:45 -04:00
Axel Kohlmeyer efaec31a84
rename USER-CGDNA and USER-CGSDK to CG-DNA and CG-SDK 2021-06-29 15:28:27 -04:00
Axel Kohlmeyer e1cfb95f54
update CODEOWNERS 2021-06-11 16:28:05 -04:00
Axel Kohlmeyer 0737e014f3
update code owners file 2021-05-22 13:51:55 -04:00
Richard Berger b4539fdac2
Update CodeQL configuration 2021-05-10 18:54:01 -04:00
Richard Berger 8b8f06db63
Simplify unittest-macos.yml 2021-05-07 17:11:13 -04:00
Richard Berger 2e3073b16a
Add ccache to MacOS GH actions build 2021-05-07 17:09:38 -04:00
Axel Kohlmeyer b4fa718576
update the GitHub contributing guide to include the MatSci forum in addition to the mailing list. 2021-04-25 07:25:05 -04:00
Axel Kohlmeyer 11d62b71c3
use clang preset when compiling on MacOS 2021-04-06 11:11:01 -04:00
Axel Kohlmeyer 4404469f5c
run GitHub actions only on merges/pushes to master to save minutes 2021-02-02 11:38:24 -05:00
Axel Kohlmeyer bfe64629fd
switch to do CodeQL analysis and Unittest on MacOS. currently for PRs and master 2021-02-01 20:32:24 -05:00
Axel Kohlmeyer 6d836d8f30
run documentation actions in parallel 2021-02-01 20:32:24 -05:00
Axel Kohlmeyer 88e182da64
speed up compilation for static code analysis by switching to debug build type and turning off optimization 2021-02-01 20:31:37 -05:00
Axel Kohlmeyer b15555724d
combine analysis and simplify 2021-02-01 20:31:37 -05:00
Axel Kohlmeyer 0be1a419c7
split codeql workflow into two files as no compilation is needed for python 2021-02-01 20:31:37 -05:00
Axel Kohlmeyer 60a11b9ea1
do parallel compilation 2021-02-01 20:31:36 -05:00
Richard Berger c11bd658fc
Add documentation and style check workflow 2021-02-01 20:31:36 -05:00
Axel Kohlmeyer 9ca0653c3e
add CodeQL static code analysis workflow 2021-02-01 20:31:36 -05:00
Tim Bernhard 4be2a99977 Fix casing of the word GitHub 2020-11-10 14:20:52 +01:00
Axel Kohlmeyer c0384eb264
update code owners 2020-09-25 17:52:51 -04:00
Axel Kohlmeyer dc89f0879c
update specific pull request templates as they are available through the github cli now 2020-09-18 06:54:31 -04:00
Axel Kohlmeyer eda04dac98
update conventions and guidelines about C++ standard and requirements 2020-09-12 15:13:23 -04:00
Richard Berger 45af603c04
Make patch informational too 2020-07-30 12:26:55 -04:00
Richard Berger 763fa426cf
Enable patch status 2020-07-30 12:21:40 -04:00
Richard Berger 1ae785132c
Add codecov.yml 2020-07-30 12:08:15 -04:00
Axel Kohlmeyer ec58267a71
update code owners 2020-06-26 19:16:35 -04:00
Axel Kohlmeyer b067880803
update code owners 2020-06-14 20:11:31 -04:00
Axel Kohlmeyer 7077db7eec
update contributing guidelines to mention creating unit tests and regression test data. add checkbox to pull request template 2020-06-14 08:16:51 -04:00
Axel Kohlmeyer 8e92530e79
add code owners for unit tests 2020-05-21 11:34:15 -04:00