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Small change in utils.jl
1 parent 2c7b265 commit 1197604

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examples/atomistic/utils/subtract-peratom-e.jl

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -27,7 +27,7 @@ function get_all_energies_w_onebody(
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energy = PotentialLearning.potential_energy(config, bp)
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for atom in get_system(config).particles
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species = atom.atomic_symbol
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energy += vref_dict[species]
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energy += vref_dict[species]
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end
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push!(energies, energy)
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end

examples/atomistic/utils/utils.jl

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -24,7 +24,7 @@ include("read-element.jl")
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include("read-dataset.jl")
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include("macros.jl")
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include("fitting-utils.jl")
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include("subtract_peratom_e.jl")
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include("subtract-peratom-e.jl")
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#include("samplers.jl")
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include("plot-err-per-sample.jl")
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include("plot-err-ef.jl")

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