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Releases: JuliaMolSim/AtomsCalculators.jl

v0.2.3

21 Nov 12:21
f0f7a31
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AtomsCalculators v0.2.3

Diff since v0.2.2

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v0.2.2

27 Aug 20:50
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AtomsCalculators v0.2.2

Diff since v0.2.1

Merged pull requests:

Closed issues:

  • Submodule AtomsCalculatorsTesting name (#16)
  • Interface seems to be missing documentation (#21)
  • Weird default tolerance in testing function (#29)
  • Update to AtomsBase 0.4 (#31)

v0.2.1

11 Jul 23:57
2ab8742
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AtomsCalculators v0.2.1

Diff since v0.2.0

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v0.2.0

07 Jul 08:51
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AtomsCalculators v0.2.0

Diff since v0.1.2

Merged pull requests:

  • Introducing the Lux model for parameters and state (#12) (@CedricTravelletti)
  • Interface re-design: state and Lux model (#22) (@CedricTravelletti)
  • CompatHelper: add new compat entry for UnitfulAtomic at version 1, (keep existing compat) (#24) (@github-actions[bot])

Closed issues:

  • Add tests that forces and virials are consistent with energy (#14)
  • @generate_interface bug : Requires AtomsCalculators.functionname (#19)
  • @generate_interface bug : cannot use args... (#20)

v0.1.2

10 May 23:56
bb5a81c
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AtomsCalculators v0.1.2

Diff since v0.1.1

Merged pull requests:

  • Testing improvements and a clarification to the interface (#13) (@tjjarvinen)

v0.1.1

01 Nov 05:04
a2349d2
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AtomsCalculators v0.1.1

Diff since v0.1.0

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v0.1.0

30 Oct 05:10
dc59e76
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AtomsCalculators v0.1.0

Merged pull requests:

  • Initial definition (#1) (@tjjarvinen)
  • CompatHelper: add new compat entry for StaticArrays at version 1, (keep existing compat) (#2) (@github-actions[bot])
  • CompatHelper: add new compat entry for Unitful at version 1, (keep existing compat) (#3) (@github-actions[bot])