Script library mainly about chemical physics.
☆26Jun 15, 2025Updated 10 months ago
Alternatives and similar repositories for myScripts
Users that are interested in myScripts are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A set of tools used for setup, analysis and post-processing of Density Functional Theory (DFT) calculations performed with the VASP packa…☆17Feb 5, 2018Updated 8 years ago
- A collection of command line utilities for manipulating VASP input / outpu☆25Mar 4, 2022Updated 4 years ago
- ☆12Feb 28, 2020Updated 6 years ago
- ⚗️ matador is an aggregator, manipulator and runner of first-principles calculations, written with a bent towards battery 🔋 electrode ma…☆35Feb 1, 2026Updated 2 months ago
- Code to convert DFPT modes in OUTCAR files to VESTA images☆26Aug 14, 2022Updated 3 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Software to calculate magnetostriction coefficients and magnetoelastic constants☆20Aug 2, 2023Updated 2 years ago
- cif2cell compatible with Python 3+☆12Sep 30, 2022Updated 3 years ago
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆20Feb 21, 2019Updated 7 years ago
- A collection of scripts to interpret/organize VASP output files☆24Oct 13, 2016Updated 9 years ago
- Restructure single parabolic band(RSPB) model used for thermoelectricity☆10Jul 25, 2025Updated 9 months ago
- Sky-MoCa Skyrmion - Monte Carlo: Simulated annealing for a 3D spin lattice in Julia☆14Jul 4, 2019Updated 6 years ago
- Calculate 3rd order elastic constant.☆13Mar 23, 2025Updated last year
- A script for calculating Fermi-Softness.☆13Feb 17, 2022Updated 4 years ago
- ☆42Feb 21, 2024Updated 2 years ago
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- Manipulating VASP files with Python.☆295Jun 19, 2022Updated 3 years ago
- pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…☆73May 20, 2025Updated 11 months ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆37Apr 19, 2024Updated 2 years ago
- Topological analysis for Li local space, site, pathway in crystal structures☆14Jan 21, 2020Updated 6 years ago
- ☆16Dec 10, 2019Updated 6 years ago
- Wannier-orbital Basis Suite Towards Electronic-Structure Reconstruction☆15Sep 5, 2023Updated 2 years ago
- Add on-site SOC to Wannier Hamiltonian.☆19Mar 24, 2021Updated 5 years ago
- Utility to construct and operate on Hamiltonians from the Projections of DFT wfc on Atomic Orbital bases (PAO)☆47Apr 10, 2026Updated 2 weeks ago
- Electronic transport properties from first-principles calculations☆159Updated this week
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- a python package for computing magnetic interaction parameters☆97Updated this week
- ☆16Feb 27, 2020Updated 6 years ago
- A computational framework to automate point defect calculations☆38Jun 5, 2018Updated 7 years ago
- Source codes of the 1st VASPKIT-PAPATERA CUP Awards☆27Sep 27, 2019Updated 6 years ago
- A general parser for VASP☆15Updated this week
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆30Aug 6, 2021Updated 4 years ago
- Natural Bond Orbital algorithm to handle systems characterized by periodic symmetry☆21Dec 5, 2021Updated 4 years ago
- A software to calculate thermal conductivity quickly and accurately☆38Feb 20, 2020Updated 6 years ago
- Visualizations☆14Jan 10, 2022Updated 4 years ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- LaTeX/Tikz package. It provides several commands in order to draw atomic orbitals and molecular orbitals diagrams.☆15Nov 24, 2015Updated 10 years ago
- Korringa-Kohn-Rostoker (multiple scattering theory/Green's function method) band structure calculation☆19Dec 31, 2025Updated 4 months ago
- Visualize vibrational modes from VASP calculations☆46Jan 20, 2025Updated last year
- Bash and Python scripts to perform simple post-processing and analyses on VASP calculation outputs.☆25Dec 10, 2017Updated 8 years ago
- band plot using python matplotlib☆183Oct 30, 2024Updated last year
- ☆19May 30, 2019Updated 6 years ago
- ☆20Jan 22, 2022Updated 4 years ago