evangelistalab / forteLinks
☆60Updated 5 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.☆54Updated 2 weeks ago
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals☆84Updated last year
- adcc: Seamlessly connect your program to ADC☆38Updated 2 months ago
- A Python package for wave function-based quantum embedding☆37Updated last week
- TREX I/O library☆61Updated 2 months ago
- Coupled-cluster package written in Python.☆46Updated 2 weeks ago
- ☆53Updated 3 weeks ago
- ☆60Updated 5 months ago
- MRH's research code☆25Updated 2 weeks ago
- CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry☆73Updated 4 months ago
- Symbolic manipulation of operator strings for quantum chemistry☆21Updated 2 years ago
- ☆12Updated 9 months ago
- ☆48Updated last week
- Python library for analytical evaluation and integration of Gaussian-type basis functions and related quantities.☆56Updated 2 months ago
- Python implementation of electronic structure theories for simulating spectroscopic properties☆18Updated last week
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆33Updated last month
- HORTON: Helpful Open-source Research TOol for N-fermion systems☆99Updated 9 months ago
- ☆40Updated last year
- Reusable DFT Grids for the Masses☆19Updated 2 months ago
- pyscf-forge is a staging ground for code that may be suitable for pyscf-core☆43Updated 2 weeks ago
- Repository for all summer program related programs☆47Updated 3 months ago
- A flexible ab-initio quantum chemistry library for (parameterized) configuration interaction calculations.☆22Updated last week
- An example to implement PBC SCF☆14Updated 7 years ago
- Hartree-Fock Python☆20Updated 2 years ago
- TheoDORE - A package for Theoretical Density, Orbital Relaxation and Exciton analysis☆35Updated 3 weeks ago
- MPI parallelization for PySCF☆34Updated last year
- Open Orbital Optimizer☆31Updated last week
- optking: A molecular geometry optimization program☆25Updated 3 months ago
- Solution of Hartree-Fock equations within Pople's STO-3G basis set☆39Updated 6 years ago
- Repository for PseudopotentialLibrary.org website and database☆15Updated 2 months ago