diff --git a/.github/workflows/CI.yml b/.github/workflows/CI.yml index 762046a..3bce923 100644 --- a/.github/workflows/CI.yml +++ b/.github/workflows/CI.yml @@ -27,7 +27,7 @@ jobs: run: git config --global core.autocrlf false - uses: actions/checkout@v2 - - uses: julia-actions/setup-julia@v1 + - uses: julia-actions/setup-julia@v2 with: version: ${{ matrix.version }} arch: ${{ matrix.arch }} diff --git a/.github/workflows/Documentation.yml b/.github/workflows/Documentation.yml index 2817c5f..9880215 100644 --- a/.github/workflows/Documentation.yml +++ b/.github/workflows/Documentation.yml @@ -15,7 +15,7 @@ jobs: - uses: julia-actions/setup-julia@v1 with: version: "1.11" - - uses: julia-actions/cache@v1 + - uses: julia-actions/cache@v2 - name: add CESMIX registry run: | julia -e ' diff --git a/Project.toml b/Project.toml index 360e1a2..00e98bd 100644 --- a/Project.toml +++ b/Project.toml @@ -1,7 +1,7 @@ name = "InteratomicPotentials" uuid = "a9efe35a-c65d-452d-b8a8-82646cd5cb04" authors = ["Dallas Foster ", "Spencer Wyant "] -version = "0.3.1" +version = "0.3.2" [deps] ACE1 = "e3f9bc04-086e-409a-ba78-e9769fe067bb" diff --git a/src/BasisSystems/ACE/ace.jl b/src/BasisSystems/ACE/ace.jl index 8edce47..d6ad6de 100644 --- a/src/BasisSystems/ACE/ace.jl +++ b/src/BasisSystems/ACE/ace.jl @@ -71,7 +71,8 @@ function convert_system_to_atoms(system::AbstractSystem) end function compute_local_descriptors(A::AbstractSystem, ace::ACE) - return [ site_energy(ace.rpib, convert_system_to_atoms(A), i) + sys = convert_system_to_atoms(A) + return [ site_energy(ace.rpib, sys, i) for i = 1:length(A)] end