Set of tools for trexio files
☆19Oct 27, 2025Updated 4 months ago
Alternatives and similar repositories for trexio_tools
Users that are interested in trexio_tools are comparing it to the libraries listed below
Sorting:
- QMC=Chem version 2☆20Dec 30, 2025Updated 2 months ago
- AiiDA plugin for Quantum Package 2.0☆13May 29, 2024Updated last year
- Quantum Monte Carlo Kernel Library☆39Feb 19, 2026Updated 2 weeks ago
- TREX I/O library☆65Feb 10, 2026Updated 3 weeks ago
- The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …☆20Feb 13, 2026Updated 3 weeks ago
- QuAcK: a software for emerging quantum electronic structure methods☆30Updated this week
- Automatic equation of motion coupled cluster generator☆17Jul 29, 2023Updated 2 years ago
- Python implementation of electronic structure theories for simulating spectroscopic properties☆21Updated this week
- gammcor code☆11Sep 25, 2025Updated 5 months ago
- Dyson equation solvers for Green's function methods☆12Feb 25, 2026Updated last week
- Donostia Natural Orbital Functional Software☆24Feb 9, 2026Updated 3 weeks ago
- Repository for PseudopotentialLibrary.org website and database☆15Sep 17, 2025Updated 5 months ago
- A Python package for wave function-based quantum embedding☆39Feb 25, 2026Updated last week
- OpenRSP: open-ended response theory.☆16Aug 16, 2020Updated 5 years ago
- ☆13Feb 25, 2026Updated last week
- An open-source library for reduced-density matrix-based analysis and computation☆20Apr 2, 2023Updated 2 years ago
- A C++ library for evaluating non-orthogonal matrix elements in electronic structure☆28Feb 19, 2025Updated last year
- Library for local orbital scaling correction (LOSC).☆18Jul 4, 2024Updated last year
- A modern C++ library for high-performance configuration interaction methods☆20Feb 3, 2026Updated last month
- ☆19Jul 25, 2022Updated 3 years ago
- Cornell-Holland Ab-initio Materials Package☆17Aug 10, 2024Updated last year
- Quantum Package : a programming environment for wave function methods☆78Updated this week
- ☆15Feb 16, 2026Updated 2 weeks ago
- Main repository for the CP-PAW code☆11Nov 4, 2025Updated 4 months ago
- Multi-collinear functional☆10Feb 12, 2026Updated 3 weeks ago
- A Python script for rendering cube files generated by Psi4☆19Mar 30, 2025Updated 11 months ago
- Mathematica modules for electronic structure calculations☆37Aug 30, 2023Updated 2 years ago
- SOC integrals generator with atomic mean field approximation☆10Jul 11, 2025Updated 7 months ago
- Numerical integration grid for molecules.☆50Feb 3, 2026Updated last month
- Open Orbital Optimizer☆33Jan 25, 2026Updated last month
- GMTKN test sets in python☆11Dec 17, 2021Updated 4 years ago
- Projectively-optimized geminal and "fancyCI" wavefunctions☆17Aug 18, 2022Updated 3 years ago
- Molecular integrals over Gaussian basis functions using sympy.☆16Oct 2, 2024Updated last year
- A variational 2-RDM-driven CASSCF plugin to Psi4☆11Mar 10, 2021Updated 4 years ago
- adcc: Seamlessly connect your program to ADC☆39Updated this week
- Symbolic manipulation of operator strings for quantum chemistry☆21Jan 10, 2023Updated 3 years ago
- The Ghent Quantum Chemistry Package for electronic structure calculations☆37Dec 12, 2025Updated 2 months ago
- ☆16Feb 23, 2026Updated last week
- 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