Abinit tutorials based on AbiPy
☆18Mar 30, 2022Updated 4 years ago
Alternatives and similar repositories for abitutorials
Users that are interested in abitutorials are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Open-source library for analyzing the results produced by ABINIT☆141Updated this week
- Docs and examples for Quantum-Espresso☆17May 25, 2017Updated 9 years ago
- The official github mirror of the Abinit repository. We welcome bug fixes and improvements. Note that most of the active developments are…☆263May 23, 2026Updated 2 weeks ago
- Computational experiments using SMACT for materials design☆11Jul 3, 2020Updated 5 years ago
- Python scripts for plot band structure from Quantum Espresso (pwscf) bands.x output files☆22May 17, 2024Updated 2 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Source codes for paper "Harnessing Machine Learning to Enhance Transition State Search with Interatomic Potentials and Generative Models"☆18Oct 23, 2025Updated 7 months ago
- Thermo_pw is a driver of quantum-ESPRESSO routines for the automatic computation of ab-initio material properties.☆62Updated this week
- An introduction to DFT.☆14May 17, 2024Updated 2 years ago
- ☆17Aug 29, 2017Updated 8 years ago
- BoltzTraP_Tools is an interface written using Python 2 language. It allows to parse and plot BoltzTraP output DATA☆19Mar 7, 2021Updated 5 years ago
- A visualization program for the display, manipulation, and analysis of isolated molecules and periodic structures☆47Jun 26, 2025Updated 11 months ago
- Compiled binaries and sources of Quantum ESPRESSO, redistributed by AdvanceSoft Corp.☆28Apr 2, 2026Updated 2 months ago
- A third-party distribution of Multiwfn for gfortran, 100% free!☆19Jul 31, 2018Updated 7 years ago
- X-ray diffraction data analysis for high pressure and high temperature experiments☆20Updated this week
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- A program for quick X-Ray Diffraction (XRD) pattern visualization. Now with crystallite size calculation using Scherrer equation.☆30Nov 23, 2022Updated 3 years ago
- General outline of how to perform DFT calculation using VASP with some advanced calculation topics as well☆17Sep 16, 2018Updated 7 years ago
- Band unfolding for phonons☆62Oct 23, 2024Updated last year
- Lecture materials for: Ab initio methods in solid state physics.☆28Jan 4, 2026Updated 5 months ago
- Python tools for Quantum ESPRESSO☆43May 29, 2026Updated last week
- A collection of examples for running different types of VASP calculations.☆34Oct 30, 2016Updated 9 years ago
- Full-potential Linearized Augmented Plane Wave code FLEUR: All-electron DFT (repo mirror)☆19Updated this week
- Projected Electronic Bands in Quantum Espresso☆16Oct 21, 2025Updated 7 months ago
- Nagoya Atomistic-simulation Package (NAP). Why don't you take a NAP? ;)☆23Jun 2, 2026Updated last week
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Script library mainly about chemical physics.☆26Jun 15, 2025Updated 11 months ago
- Python script that converts wikilinks in Markdown files into standard Markdown links☆11Oct 9, 2021Updated 4 years ago
- Build lapack for iOS arm64☆15May 13, 2021Updated 5 years ago
- CASTEPconv, a tool to automate convergence calculations with CASTEP☆14Aug 9, 2021Updated 4 years ago
- Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format☆92Jan 21, 2020Updated 6 years ago
- This program converts Standardised Precipitation-Evapotranspiration Index (SPEI) data from the netcdf format to csv and Excel formats.☆11Jun 5, 2024Updated 2 years ago
- Scripts to calculate elastic properties from a set of strained structures☆21Jul 3, 2024Updated last year
- Euphonic is a Python package for efficient simulation of phonon bandstructures, density of states and inelastic neutron scattering intens…☆41Jun 3, 2026Updated last week
- Fortran backward (reverse) mode automatic differentiation.☆11Feb 28, 2022Updated 4 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- ☆18Mar 5, 2023Updated 3 years ago
- Calculate 3rd order elastic constant.☆13Mar 23, 2025Updated last year
- This repository is for setting up the global VPN on Linux☆10May 30, 2021Updated 5 years ago
- Monte Carlo simulator for classical Heisenberg model☆13Jun 9, 2021Updated 5 years ago
- "No non-poetic account of reality can be complete." ― John Myhill☆12Nov 18, 2019Updated 6 years ago
- ☆241Jul 31, 2020Updated 5 years ago
- A collection of simulation recipes for the atomic-scale modeling of materials and molecules☆49Updated this week