susilehtola / OpenOrbitalOptimizerLinks
Open Orbital Optimizer
☆33Updated last month
Alternatives and similar repositories for OpenOrbitalOptimizer
Users that are interested in OpenOrbitalOptimizer are comparing it to the libraries listed below
Sorting:
- adcc: Seamlessly connect your program to ADC☆38Updated this week
- A Python package for wave function-based quantum embedding☆37Updated last month
- TREX I/O library☆63Updated 3 weeks ago
- Reusable DFT Grids for the Masses☆19Updated 4 months ago
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals☆85Updated last year
- PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.☆56Updated this week
- C++ and Python library for Polarizable Embedding☆22Updated last month
- Symbolic manipulation of operator strings for quantum chemistry☆21Updated 3 years ago
- Repository for PseudopotentialLibrary.org website and database☆15Updated 3 months ago
- Donostia Natural Orbital Functional Software☆22Updated 2 weeks ago
- ☆60Updated 6 months ago
- Coupled-cluster package written in Python.☆46Updated last month
- A C++ library for the efficient evaluation of integrals over effective core potentials.☆28Updated last year
- QMC=Chem version 2☆20Updated 2 weeks ago
- ☆12Updated 10 months ago
- QuAcK: a software for emerging quantum electronic structure methods☆30Updated this week
- The public repository of the Chronus Quantum (ChronusQ) Software Package☆21Updated 5 months ago
- MRH's research code☆25Updated this week
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆34Updated 2 months ago
- I can't believe it's NonAbelian!☆31Updated last week
- An example to implement PBC SCF☆14Updated 7 years ago
- Correlation consistent Gaussian basis sets for solids☆24Updated 7 months ago
- Set of tools for trexio files☆19Updated 2 months ago
- n2v: Density-to-potential Inversion Suite☆24Updated 3 years ago
- Hartree-Fock Python☆20Updated 3 years ago
- Python implementation of electronic structure theories for simulating spectroscopic properties☆18Updated this week
- Python library for analytical evaluation and integration of Gaussian-type basis functions and related quantities.☆74Updated 3 months ago
- TheoDORE - A package for Theoretical Density, Orbital Relaxation and Exciton analysis☆35Updated 2 months ago
- GauXC is a modern, modular C++ library for the evaluation of quantities related to the exchange-correlation (XC) energy (e.g. potential, …☆43Updated last month
- Gold-Standard Chemical Database 138 (GSCDB138)☆30Updated 3 weeks ago