Closed ligerzero-ai closed 5 months ago
Changes Missing Coverage | Covered Lines | Changed/Added Lines | % | ||
---|---|---|---|---|---|
pyiron_atomistics/vasp/base.py | 4 | 12 | 33.33% | ||
<!-- | Total: | 4 | 12 | 33.33% | --> |
Totals | |
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Change from base Build 9158065008: | -0.03% |
Covered Lines: | 10631 |
Relevant Lines: | 14968 |
LORBIT is not set by default when specifying spin-polarised calculations... This prevents writing of magnetisations to OUTCAR causing confusion;
i.e. https://github.com/pyiron/pyiron_atomistics/issues/1060 https://github.com/pyiron/pyiron_atomistics/issues/1423