nomad-coe / nomad-simulations / 17401895316

Builds Branch Commit Type Ran Committer Via Coverage
17401895316 add-workflow-tests Add molecular dynamics test Pull #256 ladinesa github
80.29
17401596101 sprint-dft-qchem better description for the effective born radii Pull #237 EBB2675 github
68.75
17401491442 sprint-dft-qchem improve ImplicitSolvationModel according to molecular dynamics Pull #237 EBB2675 github
68.75
17401405086 add-workflow-tests Add geometry optimization test Pull #256 ladinesa github
80.09
17399848918 sprint-dft-qchem an awesome dispersion implementation, Denis + EBB Pull #237 EBB2675 github
68.69
17398775068 sprint-dft-qchem a new way for LibXC integration Pull #237 EBB2675 github
68.53
17385070969 develop re-implemented isinstance() preference check in is_root() (#255) push web-flow github
66.67
17384066341 add-workflow-tests General workflow tests Pull #256 ladinesa github
79.46
17380503753 fix-h5md-test re-implemented isinstance() preference check in is_root() push JFRudzinski github
66.67
17375926871 sprint-dft-qchem a new way for LibXC integration Pull #237 EBB2675 github
68.52
17374756523 sprint-dft-qchem remove xc_registry.py Pull #237 EBB2675 github
68.43
17374713975 sprint-dft-qchem libxc registry and related utils, TestDFT Pull #237 EBB2675 github
68.41
17373100995 sprint-dft-qchem restructure DFT Pull #237 EBB2675 github
67.8
17372270877 sprint-dft-qchem add relativity, solvation and dispersion to ModelMethodElectronic Pull #237 EBB2675 github
66.84
17371527129 sprint-dft-qchem add LibXC based xc registry to schema utils for 679 functionals Pull #237 EBB2675 github
66.87