espressopp.analysis.RadGyrXProfilePI

Class to compute the radius of gyration profile in adaptive path integral-based simulations along slabs in the x-direction of the system for specified particle type.

Examples:

>>> gyrationprofile_instance = espressopp.analysis.RadGyrXProfilePI(system=system)
>>> # creates instance of the class for calculating the radius of gyration profile

>>> gyrationprofile_list = gyrationprofile_instance.compute(bins=100, ntrotter=32, ptype=2)
>>> # computes the radius of gyration profile for particles of type 2 using 100 bins. The system uses 32 Trotter beads.

espressopp.analysis.RadGyrXProfilePI(system)

Constructs the RadGyrXProfilePI object.

Parameters:system (shared_ptr<System>) – system object

espressopp.analysis.RadGyrXProfilePI.compute(bins, ntrotter, ptype):

Calculates the radius of gyration profile in x-direction.

Parameters:

• bins (int) – number of bins
• ntrotter (int) – number of Trotter beads
• ptype (int) – particle type

Return type:

list of reals

class espressopp.analysis.RadGyrXProfilePI.RadGyrXProfilePILocal(system)

The (local) class for computing the radius of gyration profile in x-direction of path integral ring polymers.