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mfherbst committed Jan 1, 2025
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1 change: 0 additions & 1 deletion src/optimization.jl
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Expand Up @@ -118,7 +118,6 @@ function _minimize_energy!(system, calculator, solver;
system = convert_to_updatable(system)

# TODO Think carefully whether this is the best interface and integration
# Some tests for DofManager
clamp = [iatom for (iatom, atom) in enumerate(system) if get(atom, :clamp, false)]
dofmgr = DofManager(system; variablecell, clamp)
geoopt_state = GeometryOptimizationState(system, calculator)
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