andreww / elastic-constantsLinks
Scripts to calculate elastic properties from a set of strained structures
☆19Updated 11 months ago
Alternatives and similar repositories for elastic-constants
Users that are interested in elastic-constants are comparing it to the libraries listed below
Sorting:
- Onsager coefficients for interstitial and vacancy-mediated diffusion☆11Updated 4 months ago
- Minimum-strain symmetrization of Bravais lattices☆17Updated 5 years ago
- A real-space DFT code☆16Updated 4 years ago
- Toolkit using the Atomistic Simulation Environment (ASE)☆19Updated 5 years ago
- Python Processing Tool for Vasp Ipnut/Output☆13Updated last year
- ☆20Updated last year
- A general parser for VASP☆13Updated last week
- A shell script for calculating many interesting materials' parameters for photovoltaic applications, includng Band gap, polarisation☆22Updated 9 years ago
- MDANSE: Molecular Dynamics Analysis for Neutron Scattering Experiments☆26Updated this week
- A module for ASE for elastic constants calculation.☆42Updated 4 months ago
- ☆11Updated 5 years ago
- Course materials for NANO 106 - Crystallography of Materials☆34Updated 2 years ago
- NIST Interatomic Potential Repository property calculation tools☆12Updated last month
- Set of codes to extract force constants from force-displacements data, calculate phonon dispersion (FOCEX) and thermal transport properti…☆16Updated 2 months ago
- ☆20Updated last year
- Thermodynamics of solids in the quasiharmonic approximation.☆37Updated last month
- This program calculates the main correlation functions of a material: Radial Distribution Function (J(r)), Pair Distribution Function (g(…☆17Updated 2 weeks ago
- Unsupervised landmark analysis for jump detection in molecular dynamics simulations.☆13Updated 4 years ago
- Crsytal simulation tools☆10Updated 2 months ago
- Python scripts to manage and postprocess quantum espresso and yambo calculation.☆16Updated last week
- ☆27Updated 2 weeks ago
- A Basic Symmetry Module (Python)☆17Updated last month
- Scripts to extract various properties from VASP OUTCAR file☆11Updated last year
- post-processing package that performs analysis of structural, transport, and thermodynamic properties from ab initio molecular dynamics s…☆12Updated 3 weeks ago
- Learning Molecular Dynamics with LAMMPS☆15Updated last year
- The TurboGAP code☆17Updated last month
- A fully automated approach to determine the melting temperature of crystalline materials☆18Updated 10 months ago
- Turbomoleio is a python package containing a set of tools for the generation of inputs and parsing of outputs for the TURBOMOLE quantum c…☆20Updated 4 months ago
- Collective atomic modulation analysis with irreducible space-group representation☆17Updated last week
- A collection of command line utilities for manipulating VASP input / outpu☆25Updated 3 years ago