arkane.ExplorerJob

class arkane.ExplorerJob(source, pdepjob, explore_tol, energy_tol=inf, flux_tol=0.0, bath_gas=None, maximum_radical_electrons=inf)

A representation of an Arkane explorer job. This job is used to explore a potential energy surface (PES).

copy()

Return a copy of the explorer job.

execute(output_file, plot, file_format='pdf', print_summary=True, species_list=None, thermo_library=None, kinetics_library=None)

Execute an ExplorerJob