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nomad-coe / nomad-simulations
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Repo Added 04 Jun 2024 10:07AM UTC
Token 5OmvjqxVQJnqUHvN964EvFffLgPQZapet regen
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22 Dec 2025 01:56PM UTC coverage: 82.237% (+0.2%) from 82.076%
20433944122

Pull #307

github

EBB2675
disable basis set ref for MOs
Pull Request #307: add multireference quantum chemistry

166 of 179 new or added lines in 7 files covered. (92.74%)

28 existing lines in 1 file now uncovered.

7324 of 8906 relevant lines covered (82.24%)

1.64 hits per line

Relevant lines Covered
Build:
Build:
8906 RELEVANT LINES 7324 COVERED LINES
1.64 HITS PER LINE
Source Files on multireference-qc
  • Tree
  • List 108
  • Changed 2
  • Source Changed 0
  • Coverage Changed 2
Coverage ∆ File Lines Relevant Covered Missed Hits/Line

Recent builds

Builds Branch Commit Type Ran Committer Via Coverage
20433944122 multireference-qc disable basis set ref for MOs Pull #307 22 Dec 2025 01:57PM UTC EBB2675 github
82.24
20431427410 multireference-qc add a simple test for Multireference methods Pull #307 22 Dec 2025 12:09PM UTC EBB2675 github
82.24
20430579559 multireference-qc improve active orbital implementation, add tests Pull #307 22 Dec 2025 11:28AM UTC EBB2675 github
82.18
20409333403 multireference-qc Update src/nomad_simulations/utils/mo_cube.py Co-authored-by: Copilot <175728472+Copilot@users.noreply.github.com> Pull #307 21 Dec 2025 11:45AM UTC web-flow github
82.15
20409315711 multireference-qc Update src/nomad_simulations/schema_packages/model_method.py Co-authored-by: Copilot <175728472+Copilot@users.noreply.github.com> Pull #307 21 Dec 2025 11:44AM UTC web-flow github
82.16
20409040890 multireference-qc add MO trexio utility Pull #307 21 Dec 2025 11:19AM UTC EBB2675 github
82.16
20408952308 multireference-qc add MO cube utility Pull #307 21 Dec 2025 11:12AM UTC EBB2675 github
82.11
20408478841 multireference-qc add MRMP2 to MultireferencePT Pull #307 21 Dec 2025 10:28AM UTC EBB2675 github
82.07
20408319250 multireference-qc generalize MultireferencePT Pull #307 21 Dec 2025 10:13AM UTC EBB2675 github
82.07
20408230793 multireference-qc convert method_family to type Pull #307 21 Dec 2025 10:06AM UTC EBB2675 github
82.07
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