fevangelista / wickedView external linksLinks
A Wick theorem kernel written in C++ and interfaced with Python
☆49Feb 1, 2025Updated last year
Alternatives and similar repositories for wicked
Users that are interested in wicked are comparing it to the libraries listed below
Sorting:
- Projectively-optimized geminal and "fancyCI" wavefunctions☆17Aug 18, 2022Updated 3 years ago
- SOC integrals generator with atomic mean field approximation☆10Jul 11, 2025Updated 7 months ago
- ☆55Dec 17, 2025Updated last month
- SeQuant: Symbolic Algebra of Tensors over Operators and Scalars☆26Updated this week
- ☆12Feb 20, 2025Updated 11 months ago
- Python implementation of electronic structure theories for simulating spectroscopic properties☆20Feb 5, 2026Updated last week
- Coupled-cluster package written in Python.☆47Nov 17, 2025Updated 2 months ago
- PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.☆57Jan 10, 2026Updated last month
- Provides compile-time contraction pattern analysis to determine optimal tensor operation to perform.☆68Feb 6, 2026Updated last week
- ☆60Jun 30, 2025Updated 7 months ago
- PyMES is a package for developing new methods in quantum chemistry.☆13Jan 29, 2026Updated 2 weeks ago
- An example to implement PBC SCF☆14Jul 10, 2018Updated 7 years ago
- public version of our general contraction code project☆11Jan 26, 2026Updated 2 weeks ago
- Open Orbital Optimizer☆33Jan 25, 2026Updated 2 weeks ago
- Automatic equation of motion coupled cluster generator☆17Jul 29, 2023Updated 2 years ago
- ☆13Jan 21, 2026Updated 3 weeks ago
- C++ library for the implementation of tensor product calculations through a clean, concise user interface.☆26Aug 22, 2023Updated 2 years ago
- Symbolic manipulation of operator strings for quantum chemistry☆21Jan 10, 2023Updated 3 years ago
- Correlation consistent Gaussian basis sets for solids☆25May 31, 2025Updated 8 months ago
- Notes on Electronic Structure Theory (CHEM532)☆25Feb 14, 2025Updated last year
- A symbolic algebra system for tensorial and noncommutative algebras☆28Feb 1, 2026Updated last week
- Efficient parallel quantum chemistry DMRG in MPO formalism☆99Jan 23, 2026Updated 3 weeks ago
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆34Oct 27, 2025Updated 3 months ago
- ☆16Oct 5, 2023Updated 2 years ago
- Dyson equation solvers for Green's function methods☆11Updated this week
- Multi-collinear functional☆10Mar 2, 2025Updated 11 months ago
- pyblock3: an efficient python block-sparse tensor library☆29Aug 8, 2025Updated 6 months ago
- A Python script for rendering cube files generated by Psi4☆19Mar 30, 2025Updated 10 months ago
- A Python package for wave function-based quantum embedding☆39Jan 20, 2026Updated 3 weeks ago
- Fanpy is a free and open-source Python library for developing and testing multideterminant wavefunctions and related ab initio methods in…☆20Jan 26, 2026Updated 2 weeks ago
- ☆33Jan 8, 2025Updated last year
- pyscf-forge is a staging ground for code that may be suitable for pyscf-core☆43Updated this week
- Quantum Package : a programming environment for wave function methods☆78Updated this week
- QuantNBody : a python package for quantum chemistry/physics to manipulate many-body operators and wave functions.☆15Dec 11, 2025Updated 2 months ago
- GMTKN test sets in python☆11Dec 17, 2021Updated 4 years ago
- Standalone NECI codebase designed for FCIQMC and other stochastic quantum chemistry methods.☆56Jun 20, 2023Updated 2 years ago
- ☆11Aug 27, 2024Updated last year
- ☆55Sep 12, 2024Updated last year
- A C++ library for evaluating non-orthogonal matrix elements in electronic structure☆28Feb 19, 2025Updated 11 months ago