def loadTransitionState(label, geomLog, statesLog, extSymmetry, spinMultiplicity, freqScaleFactor, linear, rotors, atoms, bonds, directory=None, E0=None, energyLog=None): global modelChemistry logging.info('Loading transition state %s...' % label) if directory: geomLog = os.path.join(directory, geomLog) statesLog = os.path.join(directory, statesLog) if energyLog: energyLog = os.path.join(directory, energyLog) E0, geom, states = loadConfiguration(energyLog, geomLog, statesLog, extSymmetry, spinMultiplicity, freqScaleFactor, linear, rotors, atoms, bonds, E0, TS=True) log = GaussianLog(statesLog) frequency = log.loadNegativeFrequency() transitionStateDict[label] = TransitionState(label=label, states=states, frequency=(frequency,"cm^-1"), E0=(E0/1000.,"kJ/mol")) geometryDict[label] = geom