wolverton-research-group / periodic-table-plotter
Make periodic table map plots and pettifor-style trend plots.
☆27Updated 6 years ago
Alternatives and similar repositories for periodic-table-plotter:
Users that are interested in periodic-table-plotter are comparing it to the libraries listed below
- Course materials for NANO 106 - Crystallography of Materials☆33Updated 2 years ago
- NIST Interatomic Potential Repository property calculation tools☆22Updated 9 months ago
- Assets for the Materials Project workshop in Aug 2016☆12Updated 8 years ago
- ase interface for Quantum Espresso☆21Updated 3 years ago
- MAterials Simulation Toolkit for use with pymatgen☆17Updated 11 months ago
- A Basic Symmetry Module (Python)☆16Updated 8 months ago
- A module for ASE for elastic constants calculation.☆40Updated 3 weeks ago
- merges pymatgen, custodian, and FireWorks into a custom workflow for Materials Project☆23Updated 5 years ago
- Minimum-strain symmetrization of Bravais lattices☆17Updated 4 years ago
- Tutorial material for hands-on sessions (work in progress)☆23Updated 3 years ago
- Onsager coefficients for interstitial and vacancy-mediated diffusion☆11Updated 2 weeks ago
- Parallel Lammps Python interface - control a mpi4py parallel LAMMPS instance from a serial python process or a Jupyter notebook☆31Updated this week
- Calculate the required k-point density from the input geometry for periodic quantum chemistry calculations☆23Updated 2 years ago
- High throughput workflow tools for characterizing 2D materials in VASP.☆21Updated last year
- Analysis of Molecular Dynamics output in the IPython Notebook☆10Updated 8 years ago
- Generating k-point grids with the best folding ratio or fewest irreducible k-points for a given density☆37Updated 6 months ago
- A command line tool written in Python/C++ for finding optimized SQS structures☆42Updated this week
- A real-space DFT code☆16Updated 4 years ago
- A tool for performing post-processing of lammps log files☆13Updated 3 years ago
- Python framework for generating and validating pseudo potentials☆42Updated last year
- Python version of Grimme's D3-dispersion correction for Gaussian input/output☆16Updated 2 years ago
- Library for Bayesian error estimation functionals for use in density functional theory codes☆23Updated last year
- Tools related to X-ray absorption spectroscopy (XAS)☆18Updated 7 months ago
- Toolkit using the Atomistic Simulation Environment (ASE)☆19Updated 4 years ago
- ☆18Updated 8 months ago
- materials.sh☆10Updated 5 years ago
- potfit force-matching code☆34Updated last year
- python wrappers for generating training files for the ReaxFF code☆23Updated 10 years ago
- Parallel C/Python package for numerical analysis of PAW DFT wavefunctions☆32Updated 3 years ago
- Platform for materials scientists to contribute and disseminate their materials data through Materials Project☆37Updated this week