nomad-coe / electronic-parsersLinks
☆23Updated last month
Alternatives and similar repositories for electronic-parsers
Users that are interested in electronic-parsers are comparing it to the libraries listed below
Sorting:
- Tracking citations of atomistic simulation engines☆26Updated this week
- A python-based crystal viewer built upon the fresnel and pymatgen libraries.☆16Updated last year
- A C++ library for the efficient evaluation of integrals over effective core potentials.☆28Updated last year
- A PyMOL plugin for visualizing vibrations in molecules and solids☆44Updated 3 months ago
- Library for Crystal Symmetry in Rust☆69Updated this week
- LAMMPS plugin for AiiDA☆26Updated this week
- a unified interface for molecular harmonic vibrational frequency calculations☆33Updated 5 months ago
- Minimum-strain symmetrization of Bravais lattices☆18Updated 5 years ago
- Python package to simulate differential absorption spectra of crystals from first principles☆32Updated 3 weeks ago
- n2v: Density-to-potential Inversion Suite☆24Updated 3 years ago
- 2017-09-26 Linux source.☆20Updated 4 years ago
- Pynta - an automated workflow for reaction path exploration on metallic surfaces☆40Updated this week
- An algorithm to match crystal structures atom-to-atom☆53Updated 2 years ago
- A Basic Symmetry Module (Python)☆17Updated last month
- A Pymatgen IO module for setting up OpenMM simulations.☆11Updated last year
- Public repository for symmetry-adapted Gaussian Process Regression (SA-GPR)☆21Updated 11 months ago
- optking: A molecular geometry optimization program☆26Updated 4 months ago
- The official AiiDA plugin for Phonopy☆20Updated 3 weeks ago
- The release-only repository of the subsystem focused quantum chemistry code Serenity☆44Updated 8 months ago
- TheoDORE - A package for Theoretical Density, Orbital Relaxation and Exciton analysis☆35Updated 2 months ago
- Fast continuum solvation based on domain decomposition☆26Updated 2 months ago
- Coarse-graining Hybrid and Inorganic Crystals (CHIC) is a Python package for automating the cleaning-up and coarse-graining of crystals a…☆14Updated last year
- Tight Binding Machine Learning Toolkit☆45Updated last month
- A pymatgen addon for parsing Quantum ESPRESSO files☆28Updated last year
- A simple cube file viewer based on pythreejs☆25Updated 2 years ago
- This app is an ASE-base workflow used to reproduce a rational initial SEI morphology at the atomic scale by stochastically placing the cr…☆12Updated last month
- Let's benchmark quantum chemistry packages!☆22Updated 5 years ago
- Official Repository of the Optados code☆24Updated 2 months ago
- A PSI4 plugin for X-ray absorption spectra (XPS, NEXAFS, PP-NEXAFS)☆11Updated last year
- AiiDA plugin of the high-performance density functional theory code JuKKR (www.judft.de) for high-throughput electronic structure calcula…☆16Updated 4 months ago