☆11Feb 23, 2021Updated 5 years ago
Alternatives and similar repositories for uegpy
Users that are interested in uegpy are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Nyan cat + Matplotlib☆12Sep 17, 2016Updated 9 years ago
- Python-based average-atom code for simulations of high energy density phenomena such as in warm dense matter.☆20Nov 9, 2023Updated 2 years ago
- Open source stochastic quantum chemistry☆80Dec 17, 2025Updated 4 months ago
- variational free-energy of dense hydrogen☆14Sep 25, 2023Updated 2 years ago
- A tool for constructing accurate machine learning force fields in moir\'e systems☆17Feb 12, 2026Updated 2 months 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.
- TNCO is a heuristic tool that optimizes tensor network contraction paths.☆33Mar 25, 2026Updated last month
- python module for performing blocking analysis on data containing serial correlations☆45Mar 20, 2024Updated 2 years ago
- ☆19Jul 25, 2022Updated 3 years ago
- Where is __pyx_capi__?☆14Feb 15, 2018Updated 8 years ago
- Density Functional Theory with Finite Difference and Lagrange Function Basis Sets☆14Oct 29, 2015Updated 10 years ago
- Draft for my book about implementing density functional theory☆20Mar 18, 2026Updated last month
- My dotfiles☆11Apr 16, 2023Updated 3 years ago
- Computational chemistry with free and open source software☆18Feb 2, 2022Updated 4 years ago
- Spin-projected Unrestricted Hartree-Fock program☆10Apr 4, 2026Updated 3 weeks 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.
- ipie stands for Intelligent Python-based Imaginary-time Evolution with a focus on simplicity and speed.☆66Mar 7, 2026Updated last month
- decodense: Bond- and atom-wise decompositions of HF and KS-DFT calculations☆12Jan 29, 2026Updated 3 months ago
- Simple path integral Monte Carlo☆10Jan 3, 2017Updated 9 years ago
- testcode is a python module for testing for regression errors in numerical (principally scientific) software.☆25Jun 7, 2022Updated 3 years ago
- Multithreaded version of numpy.einsum☆12May 20, 2023Updated 2 years ago
- Random notes on distributed computing and stuff.☆10Jul 12, 2016Updated 9 years ago
- Projectively-optimized geminal and "fancyCI" wavefunctions☆17Aug 18, 2022Updated 3 years ago
- Python tools for quantum chemical calculations☆21Jan 19, 2024Updated 2 years ago
- Pythonic electronic structure theory.☆23Apr 15, 2026Updated 2 weeks ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- CCT3: A PSI4 plugin which performs active-space coupled-cluster CCSDt calculations and which can determine non-iterative corrections to C…☆13Oct 25, 2023Updated 2 years ago
- a python package for reduced density matrix techniques☆16Sep 4, 2020Updated 5 years ago
- An example to implement PBC SCF☆14Jul 10, 2018Updated 7 years ago
- Robust and fast Monte Carlo algorithm for high dimension integration☆50Mar 24, 2026Updated last month
- Generic C++ code for replica exchange determinantal quantum Monte Carlo (DQMC) simulations of strongly correlated itinerant electron syst…☆21Jun 10, 2017Updated 8 years ago
- An extensible path integral quantum Monte Carlo code that operates at T ≥ 0☆24Updated this week
- Benchmark tools for C☆16Apr 3, 2015Updated 11 years ago
- ☆22Mar 11, 2023Updated 3 years ago
- Automatic equation of motion coupled cluster generator☆17Jul 29, 2023Updated 2 years ago
- 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.
- PyMES is a package for developing new methods in quantum chemistry.☆14Apr 24, 2026Updated last week
- Quantum Chemistry is awesome. Throw your textbook in the garbage, light the garbage can on fire, and blend the ashes into your cold brew …☆22Dec 16, 2022Updated 3 years ago
- Density matrix embedding theory for periodic systems☆18Dec 3, 2021Updated 4 years ago
- A Quantum Chemistry program written in Python 3 supporting RHF, UHF, TDHF, CIS, MP2, DFT, CCSD and CCSD(T) methods.☆69May 18, 2021Updated 4 years ago
- Multidimensional arrays for C++. (Not an official Boost library) \\ This is a mirror of gitlab.com/correaa/boost-multi☆18Updated this week
- The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …☆21Updated this week
- Fanpy is a free and open-source Python library for developing and testing multideterminant wavefunctions and related ab initio methods in…☆21Apr 24, 2026Updated last week