qmmd.qmcalc.visAnalysis.plotConfig

Attributes

charge_list
charge_list_A
charge_list_B
DI_list
benchmarking_data
barrier_data
combination_dict

Module Contents

qmmd.qmcalc.visAnalysis.plotConfig.charge_list = ['Mulliken', 'NBO', 'MK', 'Hirshfeld', 'CM5', 'QTAIM', 'ChelpG', 'Omega']

qmmd.qmcalc.visAnalysis.plotConfig.charge_list_A = ['QTAIM', 'Omega']

qmmd.qmcalc.visAnalysis.plotConfig.charge_list_B = ['Mulliken', 'NBO', 'MK', 'Hirshfeld', 'CM5', 'ChelpG']

qmmd.qmcalc.visAnalysis.plotConfig.DI_list = ['Thiolate', 'Inhibitor', 'Activation', 'Interaction']

qmmd.qmcalc.visAnalysis.plotConfig.benchmarking_data

qmmd.qmcalc.visAnalysis.plotConfig.barrier_data

qmmd.qmcalc.visAnalysis.plotConfig.combination_dict