nomad-coe / nomad-simulations / 16829737726

Builds Branch Commit Type Ran Committer Via Coverage
16829737726 physical-property-tweaking Extend chemcial potential Pull #201 ndaelman github
68.97
16807269869 develop H5md refactor (#196) * add velocities and particle_state labels * working h5md basic system * added some ModelSystem functions for molecules * add some system types * fixed tests * cleaned comments * returned current docstrings that diverge... push web-flow github
69.69
16806892763 113-add-force-field-schema more angle progress Pull #114 JFRudzinski github
69.45
16806410061 h5md-refactor re-uncomment get_chemical_symbols() for now Pull #196 JFRudzinski github
69.69
16806337747 h5md-refactor switched to get_symbols() but left the old function commented for now Pull #196 JFRudzinski github
69.88
16782426319 physical-property-tweaking Resolve minor reviewer feedback Pull #201 ndaelman github
68.98
16775586112 h5md-refactor fix editing mistakes Pull #196 JFRudzinski github
69.63
16775229078 h5md-refactor remove duplicate is_molecule Pull #196 JFRudzinski github
69.01
16775181507 h5md-refactor refined is_molecule, updated tests Pull #196 JFRudzinski github
68.73
16773177294 h5md-refactor ruff Pull #196 JFRudzinski github
69.57
16773158464 h5md-refactor returned current docstrings that diverged somehow Pull #196 JFRudzinski github
69.57
16772797878 h5md-refactor cleaned comments Pull #196 JFRudzinski github
69.57
16772756025 h5md-refactor fixed tests Pull #196 JFRudzinski github
69.57
16772642016 h5md-refactor fixed tests Pull #196 JFRudzinski github
69.71
16761196035 h5md-refactor add some system types Pull #196 JFRudzinski github
69.74