vanceeasleaf / acesLinks
A wrapper for many computational codes of thermal conductivity
☆26Updated 3 years ago
Alternatives and similar repositories for aces
Users that are interested in aces are comparing it to the libraries listed below
Sorting:
- A Python library to calculate elastic properties of materials.☆59Updated last month
- A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.☆53Updated 3 weeks ago
- ☆27Updated last year
- A collection of command line utilities for manipulating VASP input / outpu☆25Updated 3 years ago
- MAterials Simulation Toolkit for use with pymatgen☆17Updated last year
- Density Functional Theory with Finite Difference and Lagrange Function Basis Sets☆14Updated 9 years ago
- Python scripts to manage and postprocess quantum espresso and yambo calculation.☆16Updated this week
- Crsytal simulation tools☆10Updated last month
- First-principles statistical mechanical software for the study of multi-component crystalline solids☆115Updated last year
- A collection of structures, force constants and phonon data obtained from first-principles calculations☆40Updated 5 years ago
- This repository contains 'sample' LAMMPS input scripts for molecular dynamics thermal conductivity simulation and phonon mode analysis, v…☆14Updated 2 years ago
- Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS☆88Updated 3 months ago
- Onsager coefficients for interstitial and vacancy-mediated diffusion☆13Updated 7 months ago
- Julia codes to play with Phonons☆24Updated 6 years ago
- Python modules for electron–phonon models☆36Updated this week
- A physics computational framework for python and ipython☆38Updated 2 months ago
- LAMMPS plugins for thermal conductivity and density of states calculation☆48Updated 6 years ago
- A software to calculate thermal conductivity quickly and accurately☆35Updated 5 years ago
- Thermodynamic Phase Diagram Generator☆55Updated 3 years ago
- A MATlab toolkit for LAttice DYnamics calculations based on empirical potentials☆10Updated 6 years ago
- Kinetic Monte Carlo with multiple time scales and sensitivity analysis☆28Updated 2 years ago
- Python tools for calculating the spectral heat current distribution from LAMMPS NEMD simulations☆30Updated 3 years ago
- A toolkit for automatic calculation and analysis of elastic constants☆53Updated last year
- A module for ASE for elastic constants calculation.☆46Updated 7 months ago
- A tool for creating and manipulating tight-binding models.☆40Updated 6 months ago
- A computational framework to automate point defect calculations☆38Updated 7 years ago
- Generate data file for lammps using force field and a POSCAR (VASP) like input file.☆18Updated 9 years ago
- Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.☆57Updated last year
- Software to calculate magnetostriction coefficients and magnetoelastic constants☆17Updated 2 years ago
- pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…☆70Updated 4 months ago