adc-connect / adcc
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coverage: 75.519% (-0.1%) from 75.632%
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ISR(3) properties implementation (#210)

* add MP(3) densities
* add MP(3) amplitudes
* add ISR(3)-d scheme

---------

Co-authored-by: jonasleitner <80265962+jonasleitner@users.noreply.github.com>
Co-authored-by: Friederike Schneider <110526409+frieschneider@users.noreply.github.com>

1362 of 2122 branches covered (64.18%)

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8673 of 11166 relevant lines covered (77.67%)

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Recent builds

Builds Branch Commit Type Ran Committer Via Coverage
30146986336 master ISR(3) properties implementation (#210) * add MP(3) densities * add MP(3) amplitudes * add ISR(3)-d scheme --------- Co-authored-by: jonasleitner <80265962+jonasleitner@users.noreply.github.com> Co-authored-by: Friederike Schneider <110526409+f... push web-flow github
75.52
29633105784 master ISR(3) properties implementation (#210) * add MP(3) densities * add MP(3) amplitudes * add ISR(3)-d scheme --------- Co-authored-by: jonasleitner <80265962+jonasleitner@users.noreply.github.com> Co-authored-by: Friederike Schneider <110526409+f... push web-flow github
75.52
29142270614 master ISR(3) properties implementation (#210) * add MP(3) densities * add MP(3) amplitudes * add ISR(3)-d scheme --------- Co-authored-by: jonasleitner <80265962+jonasleitner@users.noreply.github.com> Co-authored-by: Friederike Schneider <110526409+f... push web-flow github
75.52
29006296508 master ISR(3) properties implementation (#210) * add MP(3) densities * add MP(3) amplitudes * add ISR(3)-d scheme --------- Co-authored-by: jonasleitner <80265962+jonasleitner@users.noreply.github.com> Co-authored-by: Friederike Schneider <110526409+f... push web-flow github
75.52
28697977038 master Add ADC(4) Triples to Test Data (#233) * dump and load triples * update testdata * dont pin qcelemental version for CI * update test data version push web-flow github
75.63
28281581582 master Add ADC(4) Triples to Test Data (#233) * dump and load triples * update testdata * dont pin qcelemental version for CI * update test data version push web-flow github
75.63
28234512704 master Add ADC(4) Triples to Test Data (#233) * dump and load triples * update testdata * dont pin qcelemental version for CI * update test data version push web-flow github
75.63
28007794100 master Update the adcman generator (#232) * rename isr_maxorder to isr_order in adcman * add translator for adcman isr_order * add davidson_thresh parameter to converge all calculations * fix qcelemental version push web-flow github
75.63
27864583960 master ADC(4) (#217) * adc4 matrix terms * guess zero triples * add second order 2p2h diagonal * correct m11 intermediate * start adc4 tests * tests * add describe_amplitude for triples * MP4 ground state energy correction + tests * update tests... push web-flow github
75.63
27749112877 master ADC(4) (#217) * adc4 matrix terms * guess zero triples * add second order 2p2h diagonal * correct m11 intermediate * start adc4 tests * tests * add describe_amplitude for triples * MP4 ground state energy correction + tests * update tests... push web-flow github
75.63
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