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Commits on Jan 14, 2025

• bump version for release 0.7.0

  ElliottKasoar

  committed
  da718ae

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• Add units (#378)

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  ElliottKasoar

  and

  oerc0122

  authored
  43c8632

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Commits on Jan 13, 2025

• Comment correlation algorithm, remove flattening of Velocity observable (#369)

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  harveydevereux

  authored
  b727ff3

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Commits on Jan 10, 2025

• Improve logging and carbon tracking consistency (#371)

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  ElliottKasoar

  authored
  1d79227

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Commits on Jan 8, 2025

• Test mac on self-hosted runner (#334)

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  ElliottKasoar

  authored
  bf53f87

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• Add Bussi thermostat (#366)

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  ElliottKasoar

  authored
  6c4154e

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• Implement temporary fix for CI (#376)

  ElliottKasoar

  authored
  fe6e6d9

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Commits on Dec 13, 2024

• Change poetry to uv (#358)

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  ElliottKasoar

  authored
  6d3310f

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Commits on Dec 11, 2024

• Add MD forces by default (#367)

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  ElliottKasoar

  authored
  e2b79f6

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Commits on Dec 3, 2024

• Fix restart to stop at steps (#362)

  ElliottKasoar

  authored
  7c7e317

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Commits on Nov 25, 2024

• Adds Velocity, ShearStress, StressDiagonal, observables (#285)

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  4 peopleauthored
  b603535

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Commits on Nov 21, 2024

• bump version for release 0.6.6

  ElliottKasoar

  committed
  b547fb9

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Commits on Nov 20, 2024

• Update README (#355)

  ElliottKasoar

  authored
  dc35a65

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Commits on Nov 19, 2024

• Update ruff (#354)

  ElliottKasoar

  authored
  9f65b91

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Commits on Nov 18, 2024

• Update MACE (#352)

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  ElliottKasoar

  authored
  2f5976c

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Commits on Nov 14, 2024

• Save model info (#336)

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  ElliottKasoar

  and

  oerc0122

  authored
  563742a

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• Add preprocessing training data (#344)

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  ElliottKasoar

  and

  oerc0122

  authored
  ca1d799

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Commits on Nov 8, 2024

• Change none_to_dict to avoid nesting brackets (#349)

  oerc0122

  authored
  bdeaca9

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• Refactor phonons (#329)

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  ElliottKasoar

  and

  oerc0122

  authored
  fb00ace

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• Update docstrings (#348)

  ElliottKasoar

  authored
  014c988

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Commits on Nov 7, 2024

• Migrate to __future__.annotations (#347)

  oerc0122

  authored
  ae46a4e

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Commits on Nov 6, 2024

• Add support for non-diagonal supercells (#320)

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  RastislavTuranyi

  authored
  4d2a8a1

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Commits on Nov 4, 2024

• Add lags to vafs (#318)

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  oerc0122

  and

  ElliottKasoar

  authored
  8678f94

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Commits on Nov 1, 2024

• Restructure helpers directory (#341)

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  3 peopleauthored
  15a6b49

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Commits on Oct 31, 2024

• Make carbon tracking optional (#343)

  ElliottKasoar

  authored
  8d53a1f

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• Clean up test output (#342)

  ElliottKasoar

  authored
  01b5ba8

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• Update docs (#340)

  Show description for e083fdc
  ElliottKasoar

  authored
  e083fdc

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Commits on Oct 28, 2024

• bump version for release

  ElliottKasoar

  committed
  4781620

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• Add citation (#339)

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  ElliottKasoar

  authored
  5f35290

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Commits on Oct 23, 2024

• Update sevennet version in docs (#338)

  ElliottKasoar

  authored
  19870d6

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• Update sevenn (#337)

  Show description for 108b5e1
  ElliottKasoar

  authored
  108b5e1

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Commits on Oct 18, 2024

• Adding EoS plotting (#332)

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  ElliottKasoar

  authored
  e8ee44c

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• Fix badge (#333)

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  ElliottKasoar

  authored
  543bcb3

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Commits on Oct 15, 2024

• Add lazy imports for CLI and calculators (#330)

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  ElliottKasoar

  authored
  6adb6c1

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Commits on Oct 11, 2024

• Add hessian (#325)

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  ElliottKasoar

  authored
  b52b3c3

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