Package `postprocessing`

Post-processing tools to compute static and dynamic correlation functions from simulations of interacting particles, such as molecular dynamics or Monte Carlo simulations.

Expand source code

"""
Post-processing tools to compute static and dynamic correlation
functions from simulations of interacting particles, such as molecular
dynamics or Monte Carlo simulations.
"""

import logging
logging.getLogger(__name__).addHandler(logging.NullHandler())

from .correlation import *
from .partial import *
from .filter import Filter
from .susceptibility import Susceptibility

# Real space correlation functions
from .alpha2 import *
from .chi4t import *
from .gr import *
from .msd import *
from .qt import *
from .vacf import *
from .ba import *

# Real space correlation functions
from .fkt import *
from .ik import *
from .s4kt import *
from .sk import *

Sub-modules

postprocessing.alpha2: Non-Gaussian parameter.
postprocessing.api: Post processing API.
postprocessing.ba: Bond angle distribution.
postprocessing.chi4t: Four-point dynamic susceptibility.
postprocessing.core
postprocessing.correlation: Base correlation function.
postprocessing.filter: Decorator to filter correlation functions by arbitrary condition on particle properties …
postprocessing.fkt: Intermediate scattering function.
postprocessing.fourierspace: Fourier-space post processing code.
postprocessing.fourierspace_wrap: This module 'fourierspace_wrap' is auto-generated with f2py (version:1.21.3). Functions: Fortran 90/95 modules: fourierspace_module — …
postprocessing.gr: Radial distribution function.
postprocessing.helpers
postprocessing.ik: Free volume spectral density.
postprocessing.linkedcells: Linked cells to compute neighbors efficiently.
postprocessing.msd: Mean square displacement.
postprocessing.partial: Fake decorator to compute partial correlation functions …
postprocessing.progress: Progress bar support …
postprocessing.qt: Time-dependent overlap.
postprocessing.realspace_wrap: This module 'realspace_wrap' is auto-generated with f2py (version:1.21.3). Functions: Fortran 90/95 modules: compute — …
postprocessing.s4kt: Four-point dynamic structure factor.
postprocessing.sacf: Stress autocorrelation function.
postprocessing.sk: Structure factor.
postprocessing.susceptibility
postprocessing.vacf: Velocity autocorrelation function.