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nomad-coe / atomistic-parsers / 10370459323

Builds Branch Commit Type Ran Committer Via Coverage
10370459323 120-h5md-debugging-for-shear-flow-sims Merge pull request #117 from nomad-coe/fix-unit-conversion Fixed incorrect conversion of kJ/mol to J push 13 Aug 2024 01:23PM UTC web-flow github
88.21
10351155964 119-add-shear-flow-md-parsing-to-h5md Merge pull request #117 from nomad-coe/fix-unit-conversion Fixed incorrect conversion of kJ/mol to J push 12 Aug 2024 11:48AM UTC web-flow github
88.21
10144409045 develop Merge pull request #117 from nomad-coe/fix-unit-conversion Fixed incorrect conversion of kJ/mol to J push 29 Jul 2024 12:46PM UTC web-flow github
88.21
10144217720 fix-unit-conversion Updated target values in gromacsparser tests Pull #117 29 Jul 2024 12:34PM UTC Bernadette Mohr github
88.21
10114564923 fix-unit-conversion Add error handling asap parser (#116) push 26 Jul 2024 04:42PM UTC web-flow github
88.21
9785920580 develop Add error handling asap parser (#116) push 03 Jul 2024 11:18PM UTC web-flow github
88.21
9785832801 fix-asap Add error handling asap parser Pull #116 03 Jul 2024 11:09PM UTC ladinesa github
88.21
9598033118 develop Merge pull request #113 from nomad-coe/112-update-gromacs-parser removed deprecated dependency on archive.m_context push 20 Jun 2024 01:16PM UTC web-flow github
88.2
9595380425 112-update-gromacs-parser removed deprecated dependency on archive.m_context Pull #113 20 Jun 2024 12:59PM UTC Bernadette Mohr github
88.2
9595628515 test_pipeline added comment Pull #114 20 Jun 2024 10:23AM UTC jrudz github
88.15
9593354407 develop Merge pull request #111 from nomad-coe/108-add-support-for-mole-in-energy-quantities-in-h5md-parser Support for energy per mole in H5MD push 20 Jun 2024 07:44AM UTC web-flow github
88.15
9584648502 112-update-gromacs-parser removed deprecated dependency on archive.m_context push 19 Jun 2024 03:36PM UTC Bernadette Mohr github
88.22
9584381893 112-update-gromacs-parser Fix quantity types (#106) * Fix amber * Fix asap * Fix bopfox * Fix dftbplus * Fix dlpoly * Fix gromos * Fix gulp * Fix h5md * Fix libatoms * Fix namd * Fix tinker * Fix xtb * Fix gromacs * Fix lammps * M... push 19 Jun 2024 03:16PM UTC web-flow github
88.17
9583990891 108-add-support-for-mole-in-energy-quantities-in-h5md-parser energies Pull #111 19 Jun 2024 02:49PM UTC jrudz github
88.15
9583268224 109-test-issue test Pull #110 19 Jun 2024 02:03PM UTC jrudz github
88.17
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