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nomad-coe / nomad-simulations / 19098124535
82%

Build:
DEFAULT BRANCH: develop
Ran 05 Nov 2025 09:58AM UTC
Jobs 3
Files 92
Run time 1min
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05 Nov 2025 09:57AM UTC coverage: 90.252% (-0.04%) from 90.287%
19098124535

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post-HF workflows :  Coupled Cluster and Configuration Interaction (#270)

* add CoupledCluster, ConfigurationInteraction and co

* add HartreeFock

* create beyond_hf.py for post hf workflows

* create test_beyond_hf.py

* add coupled_cluster.py and configuration_interaction.py to workflows

* add test_coupled_cluster.py

* remove duplicated code, remove unused code

* remove perturbation method subsection from coupled cluster bcs that part will be a workflow

* add TODO for spin_component_scaling

* docstring modifications

115 of 130 new or added lines in 5 files covered. (88.46%)

6157 of 6822 relevant lines covered (90.25%)

2.71 hits per line

New Missed Lines in Diff

Lines Coverage ∆ File
1
97.22
src/nomad_simulations/schema_packages/workflow/beyond_hf.py
6
67.42
0.61% src/nomad_simulations/schema_packages/model_method.py
8
65.22
tests/workflow/test_beyond_hf.py
Jobs
ID Job ID Ran Files Coverage
1 19098124535.1 05 Nov 2025 09:58AM UTC 92
90.25
GitHub Action Run
2 19098124535.2 05 Nov 2025 09:58AM UTC 92
90.25
GitHub Action Run
3 19098124535.3 05 Nov 2025 09:59AM UTC 92
90.25
GitHub Action Run
Source Files on build 19098124535
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  • Changed 1
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  • Coverage Changed 1
Coverage ∆ File Lines Relevant Covered Missed Hits/Line
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