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☆21Jan 22, 2023Updated 3 years ago
- Embedding module for VASP and tools for its use.☆10Feb 20, 2025Updated last year
- ☆12Jun 18, 2025Updated 10 months ago
- Matlab Simulation Package for Ab-initio Real-space Calculations☆32Nov 10, 2025Updated 5 months ago
- A modular electronic structure theory code☆21Aug 11, 2018Updated 7 years ago
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- A fortran package and library for continuum embedding calculations in materials and molecules☆20Jan 16, 2026Updated 3 months ago
- ☆22May 7, 2025Updated 11 months ago
- 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 4 years ago
- Simulation Package for Ab-initio Real-space Calculations☆95Apr 9, 2026Updated last week
- Stack of codes for dedicated pre- and post-processing tasks for Quantum Machine Learning (QML)☆19Mar 23, 2026Updated 3 weeks ago
- plane wave basis set density functional thoery code☆19Mar 29, 2026Updated 3 weeks ago
- Molecular integrals over Gaussian basis functions using sympy.☆16Oct 2, 2024Updated last year
- PySCF on IPU☆44Mar 12, 2024Updated 2 years ago
- Wordpress hosting with auto-scaling - Free Trial • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- 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 last year
- mechanoChemML library☆17Jan 16, 2026Updated 3 months ago
- A collection of numerical methods in MATLAB.☆12Feb 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 2 months ago
- ☆37Dec 28, 2025Updated 3 months ago
- Subgraph for yearn finance: https://yearn.finance☆20May 4, 2021Updated 4 years ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- Pythonic electronic structure theory.☆23Apr 8, 2026Updated last week
- A fortran library of fast functions☆28Jul 16, 2025Updated 9 months ago
- PySCF with auto-differentiation☆95Apr 10, 2026Updated last week
- An ASE-friendly implementation of the amorphous-to-crystalline (a2c) workflow.☆18Oct 19, 2025Updated 5 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.☆46Updated this week
- Wordpress hosting with auto-scaling - Free Trial • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- 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☆39Feb 28, 2026Updated last month
- A Julia package for fitting the equation of state of solids, and more☆16Sep 18, 2025Updated 7 months 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
- MacOS Quick Look Plugin for QOI Files☆11Jan 7, 2022Updated 4 years ago