adc-connect / adcc
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Bump version: 0.16.1 → 0.17.0

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Builds Branch Commit Type Ran Committer Via Coverage
24275559216 master Bump version: 0.16.1 → 0.17.0 push jonasleitner github
74.75
24178041775 master Bump version: 0.16.1 → 0.17.0 push jonasleitner github
74.75
24136414811 master add target to install build requirements for cpptests (#207) push web-flow github
74.75
23081030595 master Make Davidson subspace max_subspace_iter parameter available to user (#203) * Make Davidson subspace max_iter parameter available to user * added max_subspace_iter documentation in workflow * typo Co-authored-by: jonasleitner <80265962+jonasle... push web-flow github
74.75
22792416226 master Make Davidson subspace max_subspace_iter parameter available to user (#203) * Make Davidson subspace max_iter parameter available to user * added max_subspace_iter documentation in workflow * typo Co-authored-by: jonasleitner <80265962+jonasle... push web-flow github
74.75
22625456935 master Make Davidson subspace max_subspace_iter parameter available to user (#203) * Make Davidson subspace max_iter parameter available to user * added max_subspace_iter documentation in workflow * typo Co-authored-by: jonasleitner <80265962+jonasle... push web-flow github
74.75
22580724632 master build for macosx 12.0 (#205) push web-flow github
74.75
22569841438 master <S^2> calculation for UHF (#202) * diffdm 2p: mp1 and mp2 * ssq operator and ssq reference state * groundstate s^2 * mp2 <S^2> * state <S^2> * add ground state densities tests * add <S^2> to state.describe() * correctly sort terms in 2p st... push web-flow github
74.75
22513650655 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
22250768189 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
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