nomad-coe / nomad-simulations / 14997693232

Builds Branch Commit Type Ran Committer Via Coverage
14997693232 qc-single-reference add quadratic variants of configuration interaction Pull #187 EBB2675 github
67.15
14997199595 qc-single-reference add ConfigurationInteraction Pull #187 EBB2675 github
67.15
14996347861 qc-single-reference add NumericalIntegration and modify Mesh in numerical_settings Pull #187 EBB2675 github
67.24
14996212654 qc-single-reference fix a test Pull #187 EBB2675 github
67.28
14996029828 qc-single-reference add tests for coupled cluster Pull #187 EBB2675 github
67.28
14993211474 qc-single-reference modify LocalCorrelation Pull #187 EBB2675 github
67.27
14993040160 qc-single-reference add normaliztion to IntegralDecomposition Pull #187 EBB2675 github
67.27
14991910387 qc-single-reference improve docstring Pull #187 EBB2675 github
67.46
14991797586 qc-single-reference add FrozenCore section to MolecularModelMethod Pull #187 EBB2675 github
67.46
14991160203 qc-single-reference add MolecularModelMethod for quantum chemistry Pull #187 EBB2675 github
67.56
14973068594 qc-single-reference add MolecularOrbitals(PhysicalProperty) Pull #187 EBB2675 github
67.3
14972259627 qc-single-reference add EffectiveCorePotential and related tests Pull #187 EBB2675 github
68.16
14971906998 qc-single-reference add AO ordering convention field and related tests Pull #187 EBB2675 github
68.0
14971754483 qc-single-reference adjust AtomCenteredFunction to be code-agnostic, add tests Pull #187 EBB2675 github
67.98
14968334913 qc-single-reference add CoupledCluster and related sections push EBB2675 github
67.46