v0.2.2

AtomsCalculators v0.2.2

Diff since v0.2.1

Merged pull requests:

• Fix #29 (#30) (@tjjarvinen)
• Support AtomsBase v0.4 (#32) (@tjjarvinen)

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

AtomsCalculators v0.2.1

Diff since v0.2.0

Merged pull requests:

• Fix a bug in the macro (#25) (@tjjarvinen)

v0.2.0

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

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

AtomsCalculators v0.1.1

Diff since v0.1.0

Merged pull requests:

• Small macro fix (#6) (@tjjarvinen)
• Add compat entry for Test (#7) (@tjjarvinen)

v0.1.0

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])