cameronmcelfresh / xrd-simulateLinks
MATLAB Code to Simulate Basic XRD Patterns
☆17Updated 6 years ago
Alternatives and similar repositories for xrd-simulate
Users that are interested in xrd-simulate are comparing it to the libraries listed below
Sorting:
- Tools for phase field crystal modeling of two-dimensional materials.☆19Updated 6 years ago
- Onsager coefficients for interstitial and vacancy-mediated diffusion☆14Updated 11 months ago
- ☆11Updated 9 years ago
- LiquidDiffract is a GUI program to process experimental X-ray diffraction data of liquids/amorphous solids.☆20Updated 6 months ago
- cif2cell compatible with Python 3+☆12Updated 3 years ago
- Calculates 3d structure factor and simulated x-ray diffraction pattern from molecular dynamics trajectories☆18Updated 6 years ago
- OpenIEC: An open-source code for interfacial energy calculation in alloys☆39Updated 2 years ago
- Generate data file for lammps using force field and a POSCAR (VASP) like input file.☆18Updated 9 years ago
- This is a GPU optimized version of ShengBTE.☆19Updated last year
- Creating elastic structures using LAMMPS☆12Updated 2 years ago
- Thermodynamics of solids in the quasiharmonic approximation.☆38Updated 2 weeks ago
- DefAP is a program developed to facilitate the exploration of a material's defect chemistry. A large number of features are provided and …☆22Updated 8 months ago
- Hybrid CS for ultrafast global optimization in materials science and other diverse fields. And, Hybrid CS SCRAPs is a Multinary Solid-S…☆12Updated 2 years ago
- Richard Skelton's code for dislocations☆11Updated 6 years ago
- ☆31Updated 5 years ago
- VELAS is a user-friendly open-source toolbox for the visualization and analysis of elastic anisotropy written in GNU Octave that can be u…☆18Updated 8 months ago
- Calculate 3rd order elastic constant.☆13Updated 9 months ago
- An open-source C++ software for efficient nanoscale quantum transport simulations☆10Updated 6 years ago
- Toolkit using the Atomistic Simulation Environment (ASE)☆20Updated 5 years ago
- Builds 2D heterostructures via coincidence lattice theory.☆14Updated 2 years ago
- Visualizations☆14Updated 4 years ago
- This repository contains 'sample' LAMMPS input scripts for molecular dynamics thermal conductivity simulation and phonon mode analysis, v…☆14Updated 2 years ago
- ☆27Updated last year
- topoPhonon package is a python package that allows users to calculate topological properties (berry phase, berry curvature, wannier charg…☆26Updated 3 months ago
- Calculates the pair distribution function (PDF) of a POSCAR file.☆12Updated 9 years ago
- Installation steps for various programs like VASP, LAMMPS, Quantum Espresso, Siesta in parallel☆16Updated 5 years ago
- A library for symmetry operations and linear interpolation within an irreducible part of the first Brillouin zone.☆17Updated 2 months ago
- Lecture materials for: Ab initio methods in solid state physics.☆26Updated 2 weeks ago
- Extension of almaBTE's Monte Carlo code beyond the relaxation-time approximation.☆10Updated 2 years ago
- A toolkit for automatic calculation and analysis of elastic constants☆54Updated last year