espressopp.analysis.AdressDensity

Class to compute radial density profiles in adaptive resolution simulations based on distance to closest AdResS center. Works also for multiple overlapping AdResS regions.

Examples:

>>> densityprofile = espressopp.analysis.AdressDensity(system, verletlist)
>>> # creates the class

>>> densityprofile.addExclusions([1,2,3])
>>> # defines particle to be excluded from the calculation based on list of particle ids

>>> densityprofile.compute(100)
>>> # computes the densityprofile using 100 bins

espressopp.analysis.AdressDensity(system, verletlist)

Parameters:

• system (std::shared_ptr<System>) – system object

• verletlist (std::shared_ptr<VerletListAdress>) – verletlist object

espressopp.analysis.AdressDensity.compute(bins)

Parameters:

bins (int) – number of bins

Return type:

list of reals

espressopp.analysis.AdressDensity.addExclusions(pidlist)

Parameters:

pidlist (list of ints) – list of ids of particles to be excluded from the calculation