GitHub topics: radial-distribution-function
dssimmons-codes/AMDAT
C++ toolkit for post-processing molecular dynamics trajectories, with a focus on high-performance static and dynamic analyses of amorphous/glassy/polymer materials.
Language: C++ - Size: 20.8 MB - Last synced at: 2 days ago - Pushed at: 2 days ago - Stars: 8 - Forks: 1
bracerino/xrdlicious
Online calculator of partial radial distribution function (PRDF), global RDF, and XRD/ND patterns for crystal structures.
Language: Python - Size: 8.36 MB - Last synced at: 12 days ago - Pushed at: 12 days ago - Stars: 5 - Forks: 1
neutrons/pystog
PyStoG: Total scattering function manipulator
Language: Python - Size: 22.1 MB - Last synced at: 9 days ago - Pushed at: 9 days ago - Stars: 7 - Forks: 3
elcorto/pwtools
pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LAMMPS. It is almost, but not quite, entirely unlike ASE, with some tools extending numpy/scipy. It has a set of powerful parsers and data types for storing calculation data.
Language: Python - Size: 21.3 MB - Last synced at: 27 days ago - Pushed at: 6 months ago - Stars: 71 - Forks: 17
neutrons/addie
ADvanced DIffraction Environment - GUI for Reduction of Neturon Time-of-Flight Total Scattering Diffraction Data
Language: Python - Size: 27.2 MB - Last synced at: 6 days ago - Pushed at: 6 days ago - Stars: 8 - Forks: 4
by256/rdfpy
A Python module for fast computation of 2D and 3D radial distribution functions (RDFs).
Language: Python - Size: 3.33 MB - Last synced at: 29 days ago - Pushed at: almost 2 years ago - Stars: 31 - Forks: 13
cheng-zhao/FCFC
Fast Correlation Function Calculator
Language: C - Size: 308 KB - Last synced at: 5 months ago - Pushed at: 5 months ago - Stars: 24 - Forks: 6
dforero0896/pyfcfc
Python wrapper for the FCFC code for fast two-point correlation function computation.
Language: C - Size: 94.8 MB - Last synced at: over 1 year ago - Pushed at: over 1 year ago - Stars: 2 - Forks: 0
bumstema/disLocate
Mathematica package of Visualization Tools to Classify 2D Ordering
Language: Mathematica - Size: 38.4 MB - Last synced at: about 2 years ago - Pushed at: about 2 years ago - Stars: 0 - Forks: 0
NaveenKaliannan/StructureFactor
A simple matlab code to compute the structure factor S(q) from pair correlation function g(r)
Language: C++ - Size: 494 KB - Last synced at: over 2 years ago - Pushed at: over 4 years ago - Stars: 14 - Forks: 5
aababaei/RDF
A simple 2D example for computing the Radial Distribution Function, g(r), of a random (almost uniform) distribution of points on a 2D square plate
Language: Fortran - Size: 1000 Bytes - Last synced at: over 2 years ago - Pushed at: over 3 years ago - Stars: 0 - Forks: 0
SgtSwagrid/supercomputing
Projects from my quest to learn about high-performance computing.
Language: C - Size: 869 KB - Last synced at: over 2 years ago - Pushed at: over 5 years ago - Stars: 2 - Forks: 1
