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adjusting VASP/jobs settings #200

Merged
merged 9 commits into from
Nov 6, 2024
Merged

adjusting VASP/jobs settings #200

merged 9 commits into from
Nov 6, 2024

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QuantumChemist
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@QuantumChemist QuantumChemist commented Nov 6, 2024

  • increased NSW and NELM default values for the relaxmakers
  • overwrite job name in phonon workflow with custom makers to autoplex default

@QuantumChemist
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@JaGeo the PR can be merged 😃

@JaGeo JaGeo merged commit e879a46 into autoatml:main Nov 6, 2024
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