evangelistalab / forteLinks
☆59Updated 3 months ago
Alternatives and similar repositories for forte
Users that are interested in forte are comparing it to the libraries listed below
Sorting:
- PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.☆53Updated 3 months ago
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals☆83Updated last year
- Coupled-cluster package written in Python.☆46Updated last month
- adcc: Seamlessly connect your program to ADC☆37Updated this week
- A Python package for wave function-based quantum embedding☆35Updated last week
- ☆51Updated last month
- TREX I/O library☆61Updated 3 weeks ago
- Python library for analytical evaluation and integration of Gaussian-type basis functions and related quantities.☆54Updated last week
- ☆57Updated 3 months ago
- ☆11Updated 7 months ago
- MRH's research code☆25Updated this week
- CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry☆71Updated 2 months ago
- Symbolic manipulation of operator strings for quantum chemistry☆21Updated 2 years ago
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆31Updated 2 years ago
- ☆45Updated last week
- HORTON: Helpful Open-source Research TOol for N-fermion systems☆99Updated 7 months ago
- ☆33Updated 11 months ago
- pyscf-forge is a staging ground for code that may be suitable for pyscf-core☆40Updated last month
- TheoDORE - A package for Theoretical Density, Orbital Relaxation and Exciton analysis☆35Updated 2 months ago
- Repository for all summer program related programs☆47Updated last month
- An example to implement PBC SCF☆14Updated 7 years ago
- A Wick theorem kernel written in C++ and interfaced with Python☆44Updated 8 months ago
- I can't believe it's NonAbelian!☆28Updated 2 months ago
- Python implementation of electronic structure theories for simulating spectroscopic properties☆18Updated last week
- Open Orbital Optimizer☆28Updated last month
- optking: A molecular geometry optimization program☆23Updated last month
- ☆52Updated 3 weeks ago
- Reusable DFT Grids for the Masses☆16Updated 3 weeks ago
- A C++ library for the efficient evaluation of integrals over effective core potentials.☆28Updated last year
- Repository for PseudopotentialLibrary.org website and database☆15Updated 2 weeks ago