nomad-coe / nomad-simulations / 16517149572
70%
develop: 82%

LAST BUILD BRANCH: dev-guide
DEFAULT BRANCH: develop
Ran
Jobs 1
Files 39
Run time 1min
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coverage: 68.234% (-0.4%) from 68.609%
16517149572

Pull #187

github

EBB2675 
finalize MolecularOrbitals, full compatibility with TREXIO
Pull Request #187: Quantum chemistry part I - single reference methods

159 of 243 new or added lines in 6 files covered. (65.43%)

159 existing lines in 3 files now uncovered.

2148 of 3148 relevant lines covered (68.23%)

0.68 hits per line

Uncovered Changes

Lines Coverage ∆ File
32
65.98
 -0.28% src/nomad_simulations/schema_packages/model_method.py
24
0.0
 src/nomad_simulations/schema_packages/properties/integrals.py
18
30.77
 src/nomad_simulations/schema_packages/utils/mo_convert.py
7
88.44
 -0.17% src/nomad_simulations/schema_packages/basis_set.py
2
91.3
 src/nomad_simulations/schema_packages/properties/molecular_orbitals.py
1
75.29
 0.38% src/nomad_simulations/schema_packages/numerical_settings.py

Coverage Regressions

Lines Coverage ∆ File
82
65.98
 -0.28% src/nomad_simulations/schema_packages/model_method.py
59
75.29
 0.38% src/nomad_simulations/schema_packages/numerical_settings.py
18
88.44
 -0.17% src/nomad_simulations/schema_packages/basis_set.py
Jobs
ID Job ID Ran Files Coverage
1 16517149572.1 39
68.23
 GitHub Action Run
Source Files on build 16517149572