Pseudopotential converter from upf to psp8
☆11Jan 25, 2023Updated 3 years ago
Alternatives and similar repositories for psp-converter
Users that are interested in psp-converter are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- SPMS table of pseudopotentials☆22Jan 22, 2023Updated 3 years ago
- Embedding module for VASP and tools for its use.☆10Feb 20, 2025Updated last year
- ☆12Jun 18, 2025Updated 11 months ago
- Matlab Simulation Package for Ab-initio Real-space Calculations☆32Nov 10, 2025Updated 6 months ago
- A modular electronic structure theory code☆21Aug 11, 2018Updated 7 years ago
- 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 fortran package and library for continuum embedding calculations in materials and molecules☆20Jan 16, 2026Updated 4 months ago
- ☆22May 7, 2025Updated last year
- An interactive data exploration tool for json structured ionic liquid data from ILThermo (NIST)☆11Mar 1, 2024Updated 2 years ago
- Pseudopotential Studio☆21May 6, 2021Updated 5 years ago
- Simulation Package for Ab-initio Real-space Calculations☆96Apr 9, 2026Updated last month
- Stack of codes for dedicated pre- and post-processing tasks for Quantum Machine Learning (QML)☆19Apr 23, 2026Updated last month
- plane wave basis set density functional thoery code☆19Mar 29, 2026Updated 2 months ago
- Molecular integrals over Gaussian basis functions using sympy.☆16Oct 2, 2024Updated last year
- PySCF on IPU☆44Mar 12, 2024Updated 2 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.
- Workshop of Packaging and Publishing Local Python Codes☆10Jan 15, 2025Updated last year
- mechanoChemFEM is a libarary for modeling of mechano-chemical problems using the finite element method. It is built upon Deal.ii, PetSc,…☆12Oct 5, 2022Updated 3 years ago
- ☆17May 29, 2024Updated 2 years ago
- mechanoChemML library☆17Jan 16, 2026Updated 4 months ago
- A collection of numerical methods in MATLAB.☆15Feb 3, 2022Updated 4 years ago
- Sampling: Random, LHS, Sobol, Halton☆13Sep 15, 2021Updated 4 years ago
- Reusable DFT Grids for the Masses☆19Feb 6, 2026Updated 3 months ago
- ☆37Dec 28, 2025Updated 5 months ago
- Subgraph for yearn finance: https://yearn.finance☆20May 4, 2021Updated 5 years ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Pythonic electronic structure theory.☆23Updated this week
- A fortran library of fast functions☆28Jul 16, 2025Updated 10 months ago
- PySCF with auto-differentiation☆99Apr 28, 2026Updated last month
- An ASE-friendly implementation of the amorphous-to-crystalline (a2c) workflow.☆18Oct 19, 2025Updated 7 months ago
- A remote file explorer extension for VSCode.☆22Apr 6, 2019Updated 7 years ago
- PyTorch/PyG implementation of M3GNet☆11Sep 11, 2023Updated 2 years ago
- Rotary Crystallizer☆26Dec 12, 2024Updated last year
- An overview talk on good (not necessarily best) practices for research software engineering☆21Jan 15, 2024Updated 2 years ago
- High-Performance configuration patterns and recipes.☆46Apr 15, 2026Updated last month
- 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.
- ipie stands for Intelligent Python-based Imaginary-time Evolution with a focus on simplicity and speed.☆69Mar 7, 2026Updated 2 months ago
- Code to accompany plotter videos on my YouTube channel☆11Oct 9, 2021Updated 4 years ago
- AI-driven discovery of new Gravitational Wave Detectors☆25Jan 10, 2024Updated 2 years ago
- Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids☆39Apr 30, 2026Updated 3 weeks ago
- A Julia package for fitting the equation of state of solids, and more☆16Apr 29, 2026Updated 3 weeks ago
- Arbitrary-order derivatives of popular electronic structure methods, such as Hartree-Fock and coupled cluster theory.☆70Aug 21, 2024Updated last year
- An opinionated one-stop shop for new and old Fortran projects, offering seamless compiling, building, packaging, linting, formatting, and…☆14Feb 18, 2025Updated last year