v0.1.5

AtomsCalculatorsUtilities v0.1.5

Diff since v0.1.4

Merged pull requests:

• update interface to ChunkSplitters 3.0 (#32) (@lmiq)

v0.1.4

AtomsCalculatorsUtilities v0.1.4

Diff since v0.1.3

Merged pull requests:

• Add i-PI server calculator and update i-PI driver to AB v0.4 (#31) (@tjjarvinen)

v0.1.3

AtomsCalculatorsUtilities v0.1.3

Diff since v0.1.2

Merged pull requests:

• Adds complete AtomsCalculators interface and adds simple pair potential (#30) (@tjjarvinen)

v0.1.2

AtomsCalculatorsUtilities v0.1.2

Diff since v0.1.1

Merged pull requests:

• Bugfixes fd tests (#29) (@cortner)

Closed issues:

• Update to AtomsBase 0.4 (#25)

v0.1.1

AtomsCalculatorsUtilities v0.1.1

Diff since v0.1.0

Merged pull requests:

• support AtomsBase v0.4 (#26) (@tjjarvinen)
• Fix IPI driver (#27) (@tjjarvinen)
• fix AtomsBase v0.4 support (#28) (@tjjarvinen)

v0.1.0

AtomsCalculatorsUtilities v0.1.0

Merged pull requests:

• basic calculators (#1) (@tjjarvinen)
• Bump julia-actions/setup-julia from 1 to 2 (#2) (@dependabot[bot])
• Bump julia-actions/cache from 1 to 2 (#3) (@dependabot[bot])
• Name change (#4) (@tjjarvinen)
• Move calculators to a submodule and add zero virial calculator (#5) (@tjjarvinen)
• Finite difference tests (#8) (@cortner)
• i-PI driver implementation (#15) (@tjjarvinen)
• Updates and fixes for calculators (#16) (@tjjarvinen)
• Switch to AtomsCalculators v0.2.x (#18) (@cortner)
• Update utility calculators to AtomsCalculators v0.2 (#21) (@tjjarvinen)
• CompatHelper: add new compat entry for DiffResults at version 1, (keep existing compat) (#22) (@github-actions[bot])

Closed issues:

• Discussion of ZeroVirialCalculator (#11)
• Type instability in PairPotential Implementation (#12)
• PairPotentials for Multiple Elements (#13)
• Merge Simple and Parameterized PairPots (#14)