Asif-Iqbal-Bhatti / High-Entropy-Alloys
Generate random alloys and compute various properties
☆53Updated 3 months ago
Alternatives and similar repositories for High-Entropy-Alloys:
Users that are interested in High-Entropy-Alloys are comparing it to the libraries listed below
- A grain boundary generation code☆64Updated last year
- Repository for spectral neighbor analysis potential (SNAP) model development.☆37Updated 4 years ago
- ☆47Updated 11 months ago
- LAMMPS plugins for thermal conductivity and density of states calculation☆46Updated 6 years ago
- Kinetic Monte Carlo of Systems (KMCOS): lattice based kinetic Monte Carlo with a python front-end and Fortran back-end.☆20Updated 2 weeks ago
- 收集和整理适用于高熵合金分子动力学模拟的势函数。A set of interatomic potentials suitable for molecular dynamics simulations of high entropy alloys.☆21Updated 3 weeks ago
- ☆36Updated 5 months ago
- ☆41Updated 6 years ago
- Site-Occupation Disorder☆42Updated last year
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆54Updated 2 years ago
- A c++ code to convert bestsqs.out from mcsqs (ATAT) to POSCAR for VASP.☆30Updated 8 years ago
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆51Updated last month
- generator of simple atomistic models☆27Updated 6 years ago
- updated constant potential plugin for LAMMPS☆39Updated 2 years ago
- Examples demonstrating how to reproduce the results in the paper.☆54Updated 4 months ago
- A module for ASE for elastic constants calculation.☆41Updated last month
- ASE interface for fully constant potential with VASP☆31Updated 5 months ago
- Python tools for calculating the spectral heat current distribution from LAMMPS NEMD simulations☆28Updated 3 years ago
- Training code used to optimize reaxff force field (via LAMMPS)☆19Updated 7 years ago
- A toolkit for automatic calculation and analysis of elastic constants☆49Updated last year
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆51Updated 6 years ago
- ☆25Updated 2 years ago
- Dealing with slabs for first principles calculations of surfaces☆62Updated last year
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆19Updated 6 years ago
- Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)☆61Updated last year
- Visualize vibrational modes from VASP calculations☆39Updated 2 months ago
- Automatic search for the most stable magnetic state of a given structure☆21Updated last year
- A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…☆41Updated 2 months ago
- A lightweight python package for reading and writing VASP ML_AB files☆35Updated last month
- ☆66Updated last year