espressopp.analysis.ConfigurationsExt

• gather() add configuration to trajectory
• clear() clear trajectory
• back() get last configuration of trajectory
• capacity maximum number of configurations in trajectory further adding (gather()) configurations results in erasing oldest configuration before adding new one capacity=0 means: infinite capacity (until memory is full)
• size number of stored configurations

usage:

storing trajectory

>>> configurations = espressopp.ConfigurationsExt(system)
>>> configurations.gather()
>>> for k in xrange(100):
>>>   integrator.run(100)
>>>   configurations.gather()

accessing trajectory data:

iterate over all stored configurations:

>>> for conf in configurations:

iterate over all particles stored in configuration:

>>>   for pid in conf
>>>     particle_coords = conf[pid]
>>>     print pid, particle_coords

access particle with id <pid> of stored configuration <n>:

>>> print "particle coord: ",configurations[n][pid]

espressopp.analysis.ConfigurationsExt(system)

Parameters:system –

espressopp.analysis.ConfigurationsExt.back()

Return type:

espressopp.analysis.ConfigurationsExt.clear()

Return type:

espressopp.analysis.ConfigurationsExt.gather()

Return type: