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bylaska3

copilot/find-print-format-location

ebylaska-patch-1

eric-features

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hotfix/release-6-8

hotfix/release-7-0-0

hotfix/release-7-2-0

hotfix/release-7-3-0

lanthanide-update

master

release-6-6

release-6-8

release-7-0-0

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release-7-3-0

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6.8.1-release

6.8.1-scorep

master-oct22_2018

nwchem_on_git

v6.8

v6.8-beta.3

v6.8-release

v7.0.0-beta1

v7.0.0-beta2

v7.0.0-release

v7.0.1-release

v7.0.2-release

v7.2.0-beta1

v7.2.0-beta2

v7.2.0-release

v7.2.1-release

v7.2.2-release

v7.2.3-release

v7.3.0-release

v7.3.1-release

Mono Color

• 7f1962c717
  Merge 53e06639fa into cbd1c6d6a1 Edoardo Aprà 2026-07-21 09:17:34 -07:00
• 53e06639fa
  bump libxc version to 7.1.2 edoapra 2026-07-20 13:25:06 -07:00
• cbd1c6d6a1
  Merge pull request #1282 from nwchemgit/dependabot/github_actions/actions/setup-python-7 master Edoardo Aprà 2026-07-20 09:24:59 -07:00
• f34b92d110
  Bump actions/setup-python from 6 to 7 dependabot[bot] 2026-07-20 06:33:05 +00:00
• 9d9ffaa05b
  Merge 683f36e1c0 into d52a0f7979 Daniil Soloviev 2026-07-14 13:40:46 +00:00
• 9c2dd6fa80
  Merge 42188944f2 into d52a0f7979 Michael Klemm 2026-07-13 16:51:18 +00:00
• 7583634437
  Merge 970c9a5a88 into d52a0f7979 Copilot 2026-07-08 13:49:51 -07:00
• d6f40d2454
  Merge pull request #1281 from edoapra/hotfix/release-7-3-0 hotfix/release-7-3-0 NWChem: Open Source High-Performance Computational Chemistry 2026-07-07 09:50:24 -07:00
• 3d17d07c28
  fix elpa download edoapra 2026-07-06 16:27:42 -07:00
• d52a0f7979
  Merge pull request #1280 from edoapra/aocc60 NWChem: Open Source High-Performance Computational Chemistry 2026-07-06 13:57:49 -07:00
• 2f194bfdf9
  fix dealing with elpa download issues edoapra 2026-07-06 11:32:21 -07:00
• 4185dc300e
  Merge pull request #1279 from edoapra/aocc60 Edoardo Aprà 2026-06-30 22:01:23 -07:00
• 58f32f3635
  fix for underscore suffixed calls in c headers edoapra 2026-06-30 16:11:53 -07:00
• 429caf4714
  rename Dscal to selci_dscal to avoid ojbect conflicts edoapra 2026-06-29 16:18:23 -07:00
• a0824916fd
  fix bandit text warnings edoapra 2026-06-29 15:24:48 -07:00
• f862f56f04
  dos2unix edoapra 2026-06-29 14:54:04 -07:00
• 4e2d7deb94
  fixes for bandit edoapra 2026-06-29 14:53:32 -07:00
• 11a42ddab8
  early exit edoapra 2026-06-29 14:32:42 -07:00
• b32f54be0e
  protect from 64_to_32 conversion edoapra 2026-06-29 14:31:44 -07:00
• 2299a730ca
  dos2unix edoapra 2026-06-29 13:46:05 -07:00
• eb70f2ffe6
  check DOS files edoapra 2026-06-29 13:45:34 -07:00
• a9a4d9dcfb
  convert fortran headers edoapra 2026-06-29 13:45:07 -07:00
• 163c5afe8d
  64_to_32 and 32_to_64 scripts converted to python edoapra 2026-06-29 12:05:10 -07:00
• 11abfe35fb
  Merge pull request #1278 from edoapra/aocc60 NWChem: Open Source High-Performance Computational Chemistry 2026-06-29 10:55:00 -07:00
• e50eb8b488
  fix for compile race condition edoapra 2026-06-29 10:31:29 -07:00
• 16f974713e
  Bump actions/cache from 5 to 6 edoapra 2026-06-29 10:29:45 -07:00
• d8ca9adf8d
  Bump actions/cache from 5 to 6 dependabot[bot] 2026-06-29 06:33:03 +00:00
• 5447731768
  Merge pull request #1276 from edoapra/aocc60 NWChem: Open Source High-Performance Computational Chemistry 2026-06-26 14:52:45 -07:00
• a1433fbf67
  bug fix for issue https://github.com/nwchemgit/nwchem/issues/1275 edoapra 2026-06-26 10:19:04 -07:00
• ab15e18c65
  Merge pull request #1274 from edoapra/aocc60 NWChem: Open Source High-Performance Computational Chemistry 2026-06-25 17:05:02 -07:00
• 04b4400cda
  nvhpc 26.5 edoapra 2026-06-25 10:20:39 -07:00
• b6066c7305
  Merge pull request #1273 from nwchemgit/dependabot/github_actions/actions/checkout-7 Edoardo Aprà 2026-06-22 09:27:30 -07:00
• 460fcfda63
  Bump actions/checkout from 6 to 7 dependabot[bot] 2026-06-22 06:33:05 +00:00
• b3dec9748e
  Merge pull request #1270 from edoapra/aocc60 NWChem: Open Source High-Performance Computational Chemistry 2026-06-15 14:29:52 -07:00
• 769c882791
  version set in getfiles_utils.sh edoapra 2026-06-15 11:57:30 -07:00
• a032a17c9c
  Merge pull request #1269 from edoapra/aocc60 NWChem: Open Source High-Performance Computational Chemistry 2026-06-12 18:27:59 -07:00
• 2bf330bd72
  rocm 7.2.4 edoapra 2026-06-12 10:13:06 -07:00
• d4116e7d3f
  nvida hpc_sdk 26.3 edoapra 2026-04-13 13:42:02 -07:00
• 5c6e313bd8
  update elpa patch edoapra 2026-04-08 17:52:29 -07:00
• c0b704245c
  use elpa 2026.02.001 edoapra 2026-04-08 17:51:39 -07:00
• 7c26147393
  script update edoapra 2026-04-06 17:06:34 -07:00
• b28f38abbf
  Merge pull request #1268 from edoapra/ma_basis NWChem: Open Source High-Performance Computational Chemistry 2026-05-01 09:00:00 -07:00
• b207977722
  skip QAs when FC=nvfortran and Zen4 CPUs edoapra 2026-04-30 15:58:33 -07:00
• 48bc61b0cb
  Merge pull request #1267 from edoapra/ma_basis NWChem: Open Source High-Performance Computational Chemistry 2026-04-30 14:53:49 -07:00
• 1f74dbd9fd
  update [ci skip] edoapra 2026-04-30 14:47:58 -07:00
• 372b90c179
  test for ma basis edoapra 2026-04-30 14:08:04 -07:00
• 037227b868
  Minimally augmented basis from https://comp.chem.umn.edu/basissets/basis.cgi edoapra 2026-04-30 13:57:35 -07:00
• ada533b0c3
  Merge pull request #1265 from nwchemgit/dependabot/github_actions/softprops/action-gh-release-3 Edoardo Aprà 2026-04-13 09:55:19 -07:00
• 00909b3172
  Bump softprops/action-gh-release from 2 to 3 dependabot[bot] 2026-04-13 06:39:53 +00:00
• 4f862e4a2c
  Fix EMSL logo link in README [ci skip] Edoardo Aprà 2026-03-26 14:19:01 -07:00
• 179015c5af
  Merge pull request #1263 from edoapra/jmol-fix NWChem: Open Source High-Performance Computational Chemistry 2026-03-25 17:34:16 -07:00
• 2e59c51500
  extracted Foster-Boys interface edoapra 2026-03-25 16:21:41 -07:00
• 0a1903a063
  increased no. of iterations for Foster-Boys edoapra 2026-03-25 16:20:14 -07:00
• 0fd4f0c323
  Merge pull request #1262 from edoapra/jmol-fix NWChem: Open Source High-Performance Computational Chemistry 2026-03-19 15:22:05 -07:00
• 39b3df09ad
  cray updates edoapra 2026-03-19 12:04:14 -07:00
• da2f3516da
  basis option uppercase edoapra 2026-03-19 12:01:07 -07:00
• 65d15cf7ab
  Bump docker/setup-qemu-action from 3 to 4 dependabot[bot] 2026-03-09 06:33:01 +00:00
• 6e9c3a39ec
  Bump docker/build-push-action from 6 to 7 dependabot[bot] 2026-03-09 06:32:58 +00:00
• c6a63ee6ad
  Bump docker/setup-buildx-action from 3 to 4 dependabot[bot] 2026-03-09 06:32:53 +00:00
• ab29e0c39e
  Bump docker/setup-qemu-action from 3 to 4 dependabot[bot] 2026-03-09 06:33:01 +00:00
• 688ea653c8
  Bump docker/build-push-action from 6 to 7 dependabot[bot] 2026-03-09 06:32:58 +00:00
• 2e3f082826
  Bump docker/setup-buildx-action from 3 to 4 dependabot[bot] 2026-03-09 06:32:53 +00:00
• 8c06c9ff78
  Merge pull request #1256 from edoapra/hwloc NWChem: Open Source High-Performance Computational Chemistry 2026-03-05 15:35:34 -08:00
• b999f2db41
  fix case when hwloc is not present edoapra 2026-03-05 10:25:16 -08:00
• 6c4f4f988f
  fix download script edoapra 2026-03-04 16:02:22 -08:00
• 51161b7c80
  Merge pull request #1255 from edoapra/hwloc NWChem: Open Source High-Performance Computational Chemistry 2026-03-04 13:26:02 -08:00
• 93cd0215bd
  use hwloc to get no. hw cores to set max threads edoapra 2026-03-03 16:33:47 -08:00
• 0d5a8afda6
  fix openmp elpa linking edoapra 2026-03-03 16:33:01 -08:00
• 55511e7cce
  libomp on homebrew edoapra 2026-03-02 18:05:12 -08:00
• bb016e7ab7
  use hwloc to get no. hw cores to set max threads edoapra 2026-03-02 17:26:28 -08:00
• d88686ee71
  speedup openblas edoapra 2026-03-02 17:25:03 -08:00
• 06207b9023
  Merge pull request #1254 from nwchemgit/dependabot/github_actions/actions/upload-artifact-7 Edoardo Aprà 2026-03-02 09:34:14 -08:00
• 16e088266d
  Bump actions/upload-artifact from 6 to 7 dependabot[bot] 2026-03-02 06:39:46 +00:00
• c0faeabb0b
  Merge pull request #1253 from edoapra/libomp NWChem: Open Source High-Performance Computational Chemistry 2026-02-27 21:36:14 -08:00
• 610289b7b8
  fix caching edoapra 2026-02-27 14:43:35 -08:00
• 5bc663b968
  use openmp tag in cache key edoapra 2026-02-27 11:40:20 -08:00
• 2abb2280f4
  link openmpi libs when USE_OPENMPI=1 edoapra 2026-02-27 09:42:36 -08:00
• 4346d345fa
  elpa fix edoapra 2026-02-27 09:41:39 -08:00
• 383e8a323f
  use scalapack with proc groups edoapra 2026-02-27 09:01:38 -08:00
• 195bed0241
  openmp for elpa edoapra 2026-02-26 16:27:59 -08:00
• 881d7fd683
  Merge pull request #1252 from edoapra/libomp NWChem: Open Source High-Performance Computational Chemistry 2026-02-25 15:55:30 -08:00
• 3d49b626f8
  more nvidia options edoapra 2026-02-25 15:53:21 -08:00
• e44642d370
  Merge pull request #1251 from edoapra/libomp NWChem: Open Source High-Performance Computational Chemistry 2026-02-24 09:23:39 -08:00
• a6e6767e30
  url updates edoapra 2026-02-23 13:54:55 -08:00
• e7d40797a0
  elpa update edoapra 2026-02-23 10:47:51 -08:00
• 4773aaa84f
  Merge pull request #1250 from edoapra/hotfix/release-7-3-0 NWChem: Open Source High-Performance Computational Chemistry 2026-02-23 10:36:23 -08:00
• 7397396313
  removed flang-22 edoapra 2026-02-11 18:22:10 -08:00
• 236a8473ea
  llvm-22 MIA on ubuntu 24 edoapra 2026-02-11 16:35:59 -08:00
• b810f6e8d1
  fix conditional syntax edoapra 2026-01-26 17:01:38 -08:00
• ea3b2c7d92
  elpa update edoapra 2026-02-20 13:05:13 -08:00
• 56c27cda7a
  fault tolerant download edoapra 2026-02-20 10:05:50 -08:00
• 1cf3afae80
  elpa updates edoapra 2026-02-13 12:31:06 -08:00
• af4a646fa0
  nvfortran & nvc updates edoapra 2026-02-12 15:51:09 -08:00
• 6a1cf99da9
  elpa updates edoapra 2026-02-11 23:10:08 -08:00
• 820a52a2bb
  update elpa version & nvidia gpu support edoapra 2026-02-10 18:09:29 -08:00
• 655a9d7040
  only compile lib and headers edoapra 2026-01-12 18:15:39 -08:00
• 6eae34dd9f
  Merge pull request #1249 from edoapra/libomp NWChem: Open Source High-Performance Computational Chemistry 2026-02-20 13:07:26 -08:00
• f140bd2288
  elpa update edoapra 2026-02-20 13:05:13 -08:00
• 3e6ee88c3c
  Merge pull request #1248 from edoapra/libomp NWChem: Open Source High-Performance Computational Chemistry 2026-02-20 10:35:23 -08:00
• b61781fff0
  fault tolerant download edoapra 2026-02-20 10:05:50 -08:00