1
63%
develop: 66%

Ran 20 Jan 2026 02:44PM UTC

Files 77

Run time 2s

Badge

Embed ▾

Committed 20 Jan 2026 02:36PM UTC coverage: 62.911% (-0.4%) from 63.286%

Job # 21175647199.1

Build Type

Pull #129

github

Committed by

ndaelman-hu

Commit Message

Implement DFT-specific annotation keys to prevent circular references

Add DFT_XML_KEY and DFT_OUTCAR_KEY for method-specific annotations.
This implements ladinesa's suggestion from PR #129 to use separate
annotation keys per method type.

Changes:
- Add DFT_XML_KEY and DFT_OUTCAR_KEY constants
- Update DFT, XCFunctional, XCComponent annotations to use DFT-specific keys
- Update xml_parser.py to apply DFT_XML_KEY before generic XML_KEY
- Update outcar_parser.py to apply DFT_OUTCAR_KEY before generic OUTCAR_KEY

This approach allows using model_method.DFT.m_def globally without
creating circular references, since each annotation key creates an
independent parsing context.

Note: GW, HF, and MP2 keys deferred to separate issue.

Pull Request Pull Request #129: Add pseudopot parsing

Run Details

4361 of 6932 relevant lines covered (62.91%)

0.63 hits per line

FAIRmat-NFDI / nomad-parser-plugins-simulation / 21175647199 / 1
63%
develop: 66%

README BADGES
x

Markdown

Textile

RDoc

HTML

Rst

Source Files on job 21175647199.1

FAIRmat-NFDI / nomad-parser-plugins-simulation / 21175647199 / 1 63% develop: 66%

README BADGES x

Markdown

Textile

RDoc

HTML

Rst

Source Files on job 21175647199.1

FAIRmat-NFDI / nomad-parser-plugins-simulation / 21175647199 / 1
63%
develop: 66%

README BADGES
x