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nomad-coe / nomad-simulations / 20430579559

22 Dec 2025 11:27AM UTC coverage: 82.176% (+0.1%) from 82.076%
20430579559

Pull #307

github

EBB2675
improve active orbital implementation, add tests
Pull Request #307: add multireference quantum chemistry

153 of 170 new or added lines in 7 files covered. (90.0%)

7312 of 8898 relevant lines covered (82.18%)

2.47 hits per line

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94.44
/src/nomad_simulations/utils/mo_cube.py


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