Code

Add units#378

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ElliottKasoar merged 11 commits intostfc:mainstfc/janus-core:mainfrom ElliottKasoar:add-unitsElliottKasoar/janus-core:add-unitsCopy head branch name to clipboardJan 14, 2025

+137-23

Commits

Commits on Jan 3, 2025

• Save singlepoint units

  ElliottKasoar

  committed
  4df2c75

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• Save units for all calculations

  ElliottKasoar

  committed
  7c3bb42

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• Add hessian units

  ElliottKasoar

  committed
  0cae8d1

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• Fix ASE unit definition

  ElliottKasoar

  committed
  d7a9255

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• Add density units

  ElliottKasoar

  committed
  ce1cbff

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Commits on Jan 6, 2025

• Save units as dict

  ElliottKasoar

  committed
  439c265

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• Test units

  ElliottKasoar

  committed
  a359fb6

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Commits on Jan 8, 2025

• Fix momentum units

  ElliottKasoar

  authored
  4a21da7

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Commits on Jan 13, 2025

• Update janus_core/calculations/base.py

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  ElliottKasoar

  and

  oerc0122

  authored
  1fa9bc4

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Commits on Jan 14, 2025

• Use Base units for MD stats

  ElliottKasoar

  committed
  154223f

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• Rename units for clarity

  ElliottKasoar

  committed
  48e014e

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