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occ::mults::CrystalOptimizer Member List

This is the complete list of members for occ::mults::CrystalOptimizer, including all inherited members.

build_optimized_crystal() constocc::mults::CrystalOptimizer
compute_energy_gradient()occ::mults::CrystalOptimizer
CrystalOptimizer(CrystalEnergySetup setup, const CrystalOptimizerSettings &settings={})occ::mults::CrystalOptimizer
CrystalOptimizer(const crystal::Crystal &crystal, std::vector< MultipoleSource > multipoles, const CrystalOptimizerSettings &settings={})occ::mults::CrystalOptimizer
energy_calculator()occ::mults::CrystalOptimizerinline
energy_calculator() constocc::mults::CrystalOptimizerinline
get_parameters() constocc::mults::CrystalOptimizer
initial_states() constocc::mults::CrystalOptimizerinline
IterationCallback typedefocc::mults::CrystalOptimizer
num_parameters() constocc::mults::CrystalOptimizerinline
optimize()occ::mults::CrystalOptimizer
optimize(IterationCallback callback)occ::mults::CrystalOptimizer
reinitialize_states()occ::mults::CrystalOptimizer
set_parameters(const Vec &params)occ::mults::CrystalOptimizer
settings() constocc::mults::CrystalOptimizerinline
states() constocc::mults::CrystalOptimizerinline
symmetry_mapping() constocc::mults::CrystalOptimizerinline