Python QcfpConfig.analytic_orientational_averaging примеры использования

Пример #1

Файл: make-cfg.py Проект: antonl/stark-theory-paper

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
metacfg.use_staticdisorder = False

Пример #2

Файл: make-cfg.py Проект: antonl/stark-theory-paper

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-small'
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 = 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 = 11,13
metacfg.save_plots = True
metacfg.use_rotations = False
metacfg.use_stark = False
metacfg.use_staticdisorder = False
cfg.stark_perturbation = metacfg.use_stark