henniggroup / VASPsolLinks
Solvation model for the plane wave DFT code VASP.
☆157Updated last year
Alternatives and similar repositories for VASPsol
Users that are interested in VASPsol are comparing it to the libraries listed below
Sorting:
- Python program to evaluate off-resonance Raman activity using VASP code as the backend.☆173Updated 8 years ago
- Phonon anharmonicity analysis from molecular dynamics☆130Updated 9 months ago
- New ASE compliant Python interface to VASP☆132Updated 3 years ago
- Heavyweight plotting tools for ab initio calculations☆226Updated 3 months ago
- Electronic transport properties from first-principles calculations☆153Updated last week
- A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.☆167Updated this week
- ☆57Updated 3 months ago
- band plot using python matplotlib☆166Updated 9 months ago
- doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defec…☆198Updated 3 weeks ago
- ☆121Updated 6 years ago
- A grain boundary generation code☆69Updated last year
- Ab initio simulator for thermal transport and lattice anharmonicity☆173Updated last week
- This add-on to pymatgen provides tools for analyzing diffusion in materials.☆123Updated this week
- LAMMPS interface for phonon calculations using phonopy☆87Updated 11 months ago
- Examples demonstrating how to reproduce the results in the paper.☆57Updated 9 months ago
- Fix lattice component(s) during relaxation in VASP☆123Updated 3 years ago
- A python interface of NEP☆57Updated 7 months ago
- A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.☆243Updated 3 months ago
- ab-initio nonadiabatic molecular dynamics program☆109Updated last year
- Defect structure-searching employing chemically-guided bond distortions☆98Updated 3 weeks ago
- XDATCAR_toolkit- A tool for convert XDATCAR to PDB☆61Updated 6 years ago
- NepTrainKit is a Python package for visualizing and manipulating training datasets for NEP.☆68Updated last week
- Anharmonic Lattice Dynamics☆158Updated this week
- Useful scripts for VASP☆191Updated 3 years ago
- Python Cp2k interface☆96Updated 3 years ago
- Python package to analyse electron density & electrostatic potential grids☆87Updated last year
- ☆56Updated 3 years ago
- The Materials Project Workshop Curriculum☆116Updated 2 years ago
- ☆109Updated 2 years ago
- MPmorph is a collection of tools to run and analyze ab-initio molecular dynamics (AIMD) calculations run with VASP, and is currently unde…☆72Updated last year