adc-connect / adcc
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coverage: 74.248% (-0.3%) from 74.593%
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Recent builds

Builds Branch Commit Type Ran Committer Via Coverage
22011634569 master Add MP2 Triples and instantiate 5 and 6D Tensors (#201) * enable 6 dimensional tensors (and mostly 5 dimensional tensors) * add triples symmetry factory * add symmetrise and antisymmetrise for triples * clean parse_permutation * add test for ... push web-flow github
74.25
21774590762 master Add MP2 Triples and instantiate 5 and 6D Tensors (#201) * enable 6 dimensional tensors (and mostly 5 dimensional tensors) * add triples symmetry factory * add symmetrise and antisymmetrise for triples * clean parse_permutation * add test for ... push web-flow github
74.25
21676161030 master Add MP2 Triples and instantiate 5 and 6D Tensors (#201) * enable 6 dimensional tensors (and mostly 5 dimensional tensors) * add triples symmetry factory * add symmetrise and antisymmetrise for triples * clean parse_permutation * add test for ... push web-flow github
74.25
21561222391 master Generalize OneParticleOperator to NParticleOperator and separate operators from densities (#200) * Make use of enum to describe symmetry of 1p-operators * update product trace * generalize to n particle * clean up * update get canonical block... push web-flow github
74.59
21539100518 master Add DIIS (#199) * copy diis from density_order branch * update type hints * better type hints * converge adc1 states as tests for diis * update to numpy 2.0 * remove duplicate error handling * add a few tests * add some unit tests for the ... push web-flow github
74.29
21309193285 master Add DIIS (#199) * copy diis from density_order branch * update type hints * better type hints * converge adc1 states as tests for diis * update to numpy 2.0 * remove duplicate error handling * add a few tests * add some unit tests for the ... push web-flow github
74.29
21171795268 master Add DIIS (#199) * copy diis from density_order branch * update type hints * better type hints * converge adc1 states as tests for diis * update to numpy 2.0 * remove duplicate error handling * add a few tests * add some unit tests for the ... push web-flow github
74.29
19384344560 master Fix editable install after introducing pyproject.toml (#198) * rename libadcc source folder to libadcc_src * rename libadcc/ to libadcc_src/ in docs/reference.rst --------- Co-authored-by: Friederike Schneider <friederike.schneider@iwr.uni-hei... push web-flow github
73.88
19187895366 master Fix editable install after introducing pyproject.toml (#198) * rename libadcc source folder to libadcc_src * rename libadcc/ to libadcc_src/ in docs/reference.rst --------- Co-authored-by: Friederike Schneider <friederike.schneider@iwr.uni-hei... push web-flow github
73.88
18991307925 master Fix editable install after introducing pyproject.toml (#198) * rename libadcc source folder to libadcc_src * rename libadcc/ to libadcc_src/ in docs/reference.rst --------- Co-authored-by: Friederike Schneider <friederike.schneider@iwr.uni-hei... push web-flow github
73.66
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