NaveenKaliannan / StructureFactor
A simple matlab code to compute the structure factor S(q) from pair correlation function g(r)
☆21Updated 3 years ago
Alternatives and similar repositories for StructureFactor:
Users that are interested in StructureFactor are comparing it to the libraries listed below
- computer simulation data analysis package☆17Updated 2 years ago
- Polymer Self-Consistent Field Theory (C++/CUDA version)☆34Updated this week
- ☆42Updated 4 years ago
- Convert files from the ATB repository to LAMMPS format☆18Updated 5 months ago
- A Python package for estimating diffusion properties from molecular dynamics simulations.☆65Updated 2 weeks ago
- ☆13Updated 6 years ago
- Code to compute Onsager transport coefficients from molecular dynamics simulations using mean-square displacements.☆24Updated 3 years ago
- Simulation Input/Output for LAMMPS with ReaxFF for Atomistic Corrosion Modelling☆31Updated 5 years ago
- Provides some useful information and the LAMMPS input files to model a polymer-metal interface.☆36Updated 3 years ago
- An interactive structure viewer alongside its simulated diffraction pattern☆18Updated 3 weeks ago
- Files used in tutorials☆45Updated 4 years ago
- Atomistic Topology Operations in Matlab, scripts for manipulation of molecular dynamics or monte carlo simulation systems☆20Updated last month
- Neural functional theory for inhomogeneous fluids: Fundamentals and applications☆9Updated 3 weeks ago
- Calculates 3d structure factor and simulated x-ray diffraction pattern from molecular dynamics trajectories☆17Updated 5 years ago
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆51Updated 6 years ago
- Molecular Simulation with Machine Learning - On-line workshop, July 13-14, 2020☆22Updated 4 years ago
- Tutorial: Crystallization of silicon using enhanced sampling simulations☆16Updated 9 months ago
- Lammps tutorial: graphene simulations☆31Updated 4 years ago
- A Python package to compute bond orientational order parameters as defined by Steinhardt, Physical Review B (1983)☆30Updated 7 years ago
- generator of simple atomistic models☆27Updated 6 years ago
- How-to perform LAMMPS simulations☆14Updated last year
- Examples demonstrating how to reproduce the results in the paper.☆54Updated 4 months ago
- A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…☆41Updated 2 months ago
- On-the-fly calculation of Transport Properties☆24Updated last year
- Required LAMMPS and MATLAB files for several molecular dynamics simulations.☆40Updated 3 years ago
- Tool to read a logfile produced by LAMMPS into a simple python data structure with a get()-function providing the log data.☆58Updated last week
- Fluid-phase Free-energy Calculation package for LAMMPS☆26Updated 3 years ago
- Python scripts for dealing with molecular dynamics script for LAMMPS☆17Updated 2 years ago
- ☆17Updated 2 years ago
- Pynta - an automated workflow for reaction path exploration on metallic surfaces☆35Updated this week