print('TMPDIR: ', TMPDIR) print('SCRATCHDIR: ', SCRATCHDIR) print('OUTPUTDIR: ', OUTPUTDIR) metacfg = SimulationCheckpoint() cfg = QcfpConfig() # meta info cfg.simulation_id = 0 cfg.simulation_group = 'Ji-dimer-mu-uncoupled' cfg.simulation_type = 'pump-probe' cfg.simulation_code = 'excitons-2d' #cfg.simulation_type = 'absorption' #cfg.simulation_code = 'excitons-abs' cfg.full_output = False cfg.analytic_orientational_averaging = False cfg.return_axes = False metacfg.tmpdir = str(TMPDIR) metacfg.scratchdir = str(SCRATCHDIR) metacfg.outputdir = str(OUTPUTDIR) metacfg.randstate = [0, [ 0, ], 0] metacfg.chunksize = 1 metacfg.mesh_size = 15, 17 metacfg.save_plots = True metacfg.use_rotations = True metacfg.use_stark = True
print('TMPDIR: ', TMPDIR) print('SCRATCHDIR: ', SCRATCHDIR) print('OUTPUTDIR: ', OUTPUTDIR) metacfg = SimulationCheckpoint() cfg = QcfpConfig() # meta info cfg.simulation_id = 0 cfg.simulation_group = 'Ji-monomer' cfg.simulation_type = 'pump-probe' cfg.simulation_code = 'excitons-2d' #cfg.simulation_type = 'absorption' #cfg.simulation_code = 'excitons-abs' cfg.full_output = True cfg.analytic_orientational_averaging = True cfg.return_axes = False metacfg.tmpdir = str(TMPDIR) metacfg.scratchdir = str(SCRATCHDIR) metacfg.outputdir = str(OUTPUTDIR) metacfg.randstate = [0,[0,],0] metacfg.chunksize = 1 metacfg.mesh_size = 5,5 metacfg.save_plots = True metacfg.use_rotations = False metacfg.use_stark = False metacfg.use_staticdisorder = False cfg.stark_perturbation = metacfg.use_stark