susilehtola / OpenOrbitalOptimizerLinks
Open Orbital Optimizer
☆24Updated 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☆36Updated this week
- QMC=Chem version 2☆19Updated 3 weeks ago
- Reusable DFT Grids for the Masses☆16Updated last year
- ☆10Updated 5 months ago
- Symbolic manipulation of operator strings for quantum chemistry☆21Updated 2 years ago
- Coupled-cluster package written in Python.☆43Updated 2 months ago
- The public repository of the Chronus Quantum (ChronusQ) Software Package☆16Updated 4 months ago
- A C++ library for the efficient evaluation of integrals over effective core potentials.☆28Updated last year
- n2v: Density-to-potential Inversion Suite☆23Updated 2 years ago
- Donostia Natural Orbital Functional Software☆20Updated 8 months ago
- An example to implement PBC SCF☆14Updated 7 years ago
- Correlation consistent Gaussian basis sets for solids☆23Updated 2 months ago
- PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.☆52Updated last month
- Hartree-Fock Python☆18Updated 2 years ago
- Notes on Electronic Structure Theory (CHEM532)☆25Updated 5 months ago
- The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …☆20Updated 2 weeks ago
- The release-only repository of the subsystem focused quantum chemistry code Serenity☆35Updated 3 months ago
- A Python package for wave function-based quantum embedding☆34Updated 2 weeks ago
- MRH's research code☆25Updated this week
- TheoDORE - A package for Theoretical Density, Orbital Relaxation and Exciton analysis☆34Updated 2 weeks ago
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals☆82Updated last year
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆30Updated 2 years ago
- ☆13Updated last month
- Realtime Extensions to PySCF (TDDFT etc.)☆11Updated 7 years ago
- optking: A molecular geometry optimization program☆23Updated last week
- QuAcK: a software for emerging quantum electronic structure methods☆28Updated this week
- pyscf-forge is a staging ground for code that may be suitable for pyscf-core☆38Updated 2 months ago
- An open source program for the description of metastable electronic states in molecules.☆22Updated 3 months ago
- I can't believe it's NonAbelian!☆26Updated 3 weeks ago
- Python implementation of electronic structure theories for simulating spectroscopic properties☆17Updated last week