NaveenKaliannan / StructureFactor
A simple matlab code to compute the structure factor S(q) from pair correlation function g(r)
☆20Updated 3 years ago
Related projects ⓘ
Alternatives and complementary repositories for StructureFactor
- Polymer Self-Consistent Field Theory (C++/CUDA version)☆33Updated this week
- Code to compute Onsager transport coefficients from molecular dynamics simulations using mean-square displacements.☆19Updated 3 years ago
- ☆39Updated 4 years ago
- Onsager coefficients for interstitial and vacancy-mediated diffusion☆11Updated 3 months ago
- Atomistic Topology Operations in Matlab, scripts for manipulation of molecular dynamics or monte carlo simulation systems☆19Updated 2 years ago
- Calculates 3d structure factor and simulated x-ray diffraction pattern from molecular dynamics trajectories☆16Updated 5 years ago
- An interactive structure viewer alongside its simulated diffraction pattern☆16Updated last month
- ☆21Updated last week
- Provides some useful information and the LAMMPS input files to model a polymer-metal interface.☆33Updated 3 years ago
- Tool for finding atomic environments in crystal structures☆21Updated 4 months ago
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆47Updated 6 years ago
- Molecular Simulation with Machine Learning - On-line workshop, July 13-14, 2020☆23Updated 4 years ago
- Required LAMMPS and MATLAB files for several molecular dynamics simulations.☆36Updated 3 years ago
- computer simulation data analysis package☆17Updated 2 years ago
- LAMMPS plugin for AiiDA☆25Updated this week
- ☆24Updated last year
- LAMMPS input from lammpstutorials.github.io☆29Updated last month
- A Python package for estimating diffusion properties from molecular dynamics simulations.☆57Updated last week
- A PyMOL plugin for visualizing vibrations in molecules and solids☆40Updated last month
- A module for ASE for elastic constants calculation.☆35Updated 3 months ago
- Convert files from the ATB repository to LAMMPS format☆16Updated last month
- Python library written in C++ for calculation of local atomic structural environment☆57Updated 2 months ago
- Code to analyze molecular dynamics trajectory☆16Updated last week
- ☆32Updated 3 weeks ago
- Introduction to kinetic Monte Carlo (kMC) Simulations with Examples in Jupyter Notebooks☆21Updated 5 years ago
- Simulation Input/Output for LAMMPS with ReaxFF for Atomistic Corrosion Modelling☆27Updated 5 years ago
- A tool for performing post-processing of lammps log files☆13Updated 3 years ago
- A classical Density Functional Theory code to calculate the properties of hard spheres or Lennard-Jones particles in planar geometry i.e.…☆16Updated 6 years ago
- A Python module for fast computation of 2D and 3D radial distribution functions (RDFs).☆25Updated 10 months ago
- MDANSE: Molecular Dynamics Analysis for Neutron Scattering Experiments☆22Updated this week