API Documentation

ase_uhal.StructureSelector(bias_calc[, ...])	Dynamics observer which decides whether to select a structure based on the score values of a trajectory
ase_uhal.bias_calculators.HALBiasCalculator(...)	Bias calculator with HAL scoring metric
ase_uhal.bias_calculators.BaseBiasCalculator(...)	ASE-compatible Bias calculator with adaptive biasing
ase_uhal.committee_calculators.ACEHALCalculator(...)
ase_uhal.committee_calculators.MACEHALCalculator(...)
ase_uhal.committee_calculators.BaseCommitteeCalculator(...)
ase_uhal.committee_calculators.TorchCommitteeCalculator(...)