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Fixed exports.
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CedricTravelletti committed Feb 21, 2024
1 parent 31837b3 commit 874ffbb
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Showing 2 changed files with 6 additions and 1 deletion.
6 changes: 6 additions & 0 deletions src/GeometryOptimization.jl
Original file line number Diff line number Diff line change
Expand Up @@ -8,9 +8,15 @@ using AtomsBase
using AtomsCalculators
using Unitful
using UnitfulAtomic
using ComponentArrays

export update_positions, update_not_clamped_positions, clamp_atoms
include("atomsbase_interface.jl")

export apply_voigt_strain, compute_voigt_strain
include("strain.jl")

export minimize_energy!
include("optimization.jl")

end
1 change: 0 additions & 1 deletion src/strain.jl
Original file line number Diff line number Diff line change
@@ -1,4 +1,3 @@
export apply_voigt_strain, compute_voigt_strain

function voigt_to_full(v)
[v[1] .5*v[6] .5*v[5];
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