rdmc.external.logparser

• rdmc.external.logparser.base
  • BaseLog
    • BaseLog.auto_update_prop()
    • BaseLog.finished
    • BaseLog.is_ts
    • BaseLog.job_type
    • BaseLog.opt_criteria
    • BaseLog.require_job_type()
    • BaseLog.require_ts()
    • BaseLog.schemes
    • BaseLog.success
    • BaseLog.termination_time
    • BaseLog.time_regex
  • CclibLog
    • CclibLog.all_geometries
    • CclibLog.cclib_results
    • CclibLog.charge
    • CclibLog.converged_geometries
    • CclibLog.freqs
    • CclibLog.get_best_opt_geom()
    • CclibLog.get_converged_geom_idx()
    • CclibLog.get_irc_midpoint()
    • CclibLog.get_lowest_e_geometry()
    • CclibLog.get_mol()
    • CclibLog.get_scannames()
    • CclibLog.get_scanparams()
    • CclibLog.get_scf_energies()
    • CclibLog.get_xyzs()
    • CclibLog.guess_rxn_from_irc()
    • CclibLog.guess_rxn_from_normal_mode()
    • CclibLog.initial_geometry
    • CclibLog.interact_freq()
    • CclibLog.interact_irc()
    • CclibLog.interact_opt()
    • CclibLog.interact_scan()
    • CclibLog.multiplicity
    • CclibLog.neg_freqs
    • CclibLog.num_all_geoms
    • CclibLog.num_converged_geoms
    • CclibLog.num_neg_freqs
    • CclibLog.opt_convergence
    • CclibLog.optstatus
    • CclibLog.plot_irc_energies()
    • CclibLog.plot_opt_convergence()
    • CclibLog.plot_scan_energies()
    • CclibLog.view_freq()
    • CclibLog.view_mol()
    • CclibLog.view_traj()
• rdmc.external.logparser.gaussian
  • GaussianLog
    • GaussianLog.opt_criteria
    • GaussianLog.time_regex
• rdmc.external.logparser.qchem
  • QChemLog
    • QChemLog.get_mol()
    • QChemLog.get_scf_energies()
    • QChemLog.opt_critieria
    • QChemLog.time_regex
• rdmc.external.logparser.orca
  • ORCALog
    • ORCALog.multiplicity
    • ORCALog.opt_criteria
    • ORCALog.time_regex
• rdmc.external.logparser.utils
  • cached_property
  • scheme_to_dict()