QMC=Chem version 2
☆20Dec 30, 2025Updated 2 months ago
Alternatives and similar repositories for qmcchem2
Users that are interested in qmcchem2 are comparing it to the libraries listed below
Sorting:
- Set of tools for trexio files☆19Oct 27, 2025Updated 4 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
- Automatic equation of motion coupled cluster generator☆17Jul 29, 2023Updated 2 years ago
- TREX I/O library☆65Feb 10, 2026Updated 3 weeks ago
- QuAcK: a software for emerging quantum electronic structure methods☆30Mar 2, 2026Updated last week
- 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
- gammcor code☆11Sep 25, 2025Updated 5 months ago
- Dyson equation solvers for Green's function methods☆12Feb 25, 2026Updated last week
- Open Orbital Optimizer☆34Jan 25, 2026Updated last month
- Repository for PseudopotentialLibrary.org website and database☆15Sep 17, 2025Updated 5 months ago
- An open-source library for reduced-density matrix-based analysis and computation☆20Apr 2, 2023Updated 2 years ago
- Cornell-Holland Ab-initio Materials Package☆17Aug 10, 2024Updated last year
- Python implementation of electronic structure theories for simulating spectroscopic properties☆21Updated this week
- Quantum Package : a programming environment for wave function methods☆78Mar 2, 2026Updated last week
- A Python package for wave function-based quantum embedding☆39Feb 25, 2026Updated last week
- Donostia Natural Orbital Functional Software☆24Updated this week
- C++ and Python library for Polarizable Embedding☆23Dec 15, 2025Updated 2 months ago
- Realtime Extensions to PySCF (TDDFT etc.)☆11Sep 11, 2017Updated 8 years ago
- Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters☆44Dec 11, 2025Updated 2 months ago
- Symbolic manipulation of operator strings for quantum chemistry☆21Jan 10, 2023Updated 3 years ago
- A C++ library for evaluating non-orthogonal matrix elements in electronic structure☆28Feb 19, 2025Updated last year
- Multi-collinear functional☆10Feb 12, 2026Updated 3 weeks ago
- ☆15Updated this week
- SOC integrals generator with atomic mean field approximation☆10Jul 11, 2025Updated 7 months ago
- ☆12Feb 20, 2025Updated last year
- Numerical integration grid for molecules.☆50Feb 3, 2026Updated last month
- Python tools for automating routine tasks encountered when running quantum chemistry computations.☆56Feb 5, 2026Updated last month
- A generic implementation of tensor einsum in Fortran.☆30Jan 29, 2021Updated 5 years ago
- Projectively-optimized geminal and "fancyCI" wavefunctions☆17Aug 18, 2022Updated 3 years ago
- ZMPO-DMRG: A Parallel Fock-Space ab DMRG code based on MPO for Quantum Chemistry Hamiltonian☆12Oct 7, 2019Updated 6 years ago
- A variational 2-RDM-driven CASSCF plugin to Psi4☆11Mar 10, 2021Updated 4 years ago
- QuantNBody : a python package for quantum chemistry/physics to manipulate many-body operators and wave functions.☆15Updated this week
- Package to handle integrals over Gaussian-type atomic orbitals.☆32Feb 11, 2026Updated 3 weeks ago
- A C++ library for the efficient evaluation of integrals over effective core potentials.☆28Jun 12, 2024Updated last year
- Program for simulating time evolution in quantum systems using the MCTDHF method.☆17Nov 26, 2017Updated 8 years ago
- A python application to help you place your processes and threads on the cpu cores, and to let you check the placement is correct☆16Apr 4, 2025Updated 11 months ago
- Mathematica modules for electronic structure calculations☆37Aug 30, 2023Updated 2 years ago
- Parallel Computational Chemistry Application☆18Aug 31, 2017Updated 8 years ago