pwmat/output format

pwmat/mlmd format

pwmat/movement format

mlmd format

movement format

Class: PwmatOutputFormat

Conversions

Convert from this format to LabeledSystem

dpdata.LabeledSystem(file_name, begin=0, step=1, convergence_check=True, fmt: Literal['pwmat/output'] = None) → dpdata.system.LabeledSystem

dpdata.LabeledSystem(file_name, begin=0, step=1, convergence_check=True, fmt: Literal['pwmat/mlmd'] = None) → dpdata.system.LabeledSystem

dpdata.LabeledSystem(file_name, begin=0, step=1, convergence_check=True, fmt: Literal['pwmat/movement'] = None) → dpdata.system.LabeledSystem

dpdata.LabeledSystem(file_name, begin=0, step=1, convergence_check=True, fmt: Literal['mlmd'] = None) → dpdata.system.LabeledSystem

dpdata.LabeledSystem(file_name, begin=0, step=1, convergence_check=True, fmt: Literal['movement'] = None) → dpdata.system.LabeledSystem

dpdata.LabeledSystem.from_pwmat_output(file_name, begin=0, step=1, convergence_check=True) → dpdata.system.LabeledSystem

dpdata.LabeledSystem.from_pwmat_mlmd(file_name, begin=0, step=1, convergence_check=True) → dpdata.system.LabeledSystem

dpdata.LabeledSystem.from_pwmat_movement(file_name, begin=0, step=1, convergence_check=True) → dpdata.system.LabeledSystem

dpdata.LabeledSystem.from_mlmd(file_name, begin=0, step=1, convergence_check=True) → dpdata.system.LabeledSystem

dpdata.LabeledSystem.from_movement(file_name, begin=0, step=1, convergence_check=True) → dpdata.system.LabeledSystem

Convert this format to LabeledSystem.

Returns:

LabeledSystem

converted system