Parsers#

The module includes parsers to interpret outputs from the training and evaluation calculations:

MACE Base Parser
class aiida_trains_pot.mace.mace_train_plugin.parsers.MaceBaseParser(node)[source]#

Parser class for parsing output of calculation.

parse(**kwargs)[source]#

Parse outputs, store results in database.

Returns:

an exit code, if parsing fails (or nothing if parsing succeeds)

Evaluation Parser
class aiida_trains_pot.evaluation.parsers.EvaluationParser(node)[source]#

Parser class for parsing output of calculation.

parse(**kwargs)[source]#

Parse outputs, store results in database.

Returns:

an exit code, if parsing fails (or nothing if parsing succeeds)