FAIRmat-NFDI / nomad-parser-plugins-simulation / 23431579272

70%

develop: 74%

Pull #151

github

Use coulomb instead of elementary_charge for GUI compatibility

Change charge convergence unit from `elementary_charge` to `coulomb` to fix
GUI unit parser error. The GUI uses mathjs units which doesn't recognize
`elementary_charge` as a valid unit name.

**Error fixed:**
```
SyntaxError: Unit "elementary_charge" not found.
at parseInternal (src/components/units/common.js:313)
```

**Changes:**
- exciting parser: Use `ureg.coulomb` instead of `ureg.elementary_charge` for charge convergence threshold
- Test expectations: Update values from elementary_charge-based to coulomb-based

**Conversion factor:** `1 elementary_charge = 1.602176634e-19 coulomb`

All tests pass.

783 of 907 new or added lines in 25 files covered. (86.33%)

6492 of 9241 relevant lines covered (70.25%)

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