xsligroup / chronusq_publicLinks
The public repository of the Chronus Quantum (ChronusQ) Software Package
☆18Updated last month
Alternatives and similar repositories for chronusq_public
Users that are interested in chronusq_public are comparing it to the libraries listed below
Sorting:
- QMC=Chem version 2☆19Updated 2 months ago
- Donostia Natural Orbital Functional Software☆20Updated last week
- Open Orbital Optimizer☆26Updated last month
- A Python package for wave function-based quantum embedding☆34Updated 3 weeks ago
- Realtime Extensions to PySCF (TDDFT etc.)☆11Updated 8 years ago
- Symbolic manipulation of operator strings for quantum chemistry☆21Updated 2 years ago
- Python implementation of electronic structure theories for simulating spectroscopic properties☆18Updated this week
- Repository for PseudopotentialLibrary.org website and database☆15Updated last month
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆31Updated 2 years ago
- The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …☆20Updated this week
- Reusable DFT Grids for the Masses☆16Updated this week
- Correlation consistent Gaussian basis sets for solids☆23Updated 3 months ago
- QuAcK: a software for emerging quantum electronic structure methods☆28Updated last week
- adcc: Seamlessly connect your program to ADC☆37Updated last month
- ☆11Updated 6 months ago
- PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.☆52Updated 2 months ago
- MRH's research code☆25Updated this week
- Hartree-Fock Python☆18Updated 2 years ago
- Set of tools for trexio files☆19Updated last month
- TREX I/O library☆60Updated 3 weeks ago
- ☆13Updated 2 months ago
- The release-only repository of the subsystem focused quantum chemistry code Serenity☆37Updated 4 months ago
- n2v: Density-to-potential Inversion Suite☆23Updated 3 years ago
- An example to implement PBC SCF☆14Updated 7 years ago
- Cornell-Holland Ab-initio Materials Package☆17Updated last year
- optking: A molecular geometry optimization program☆23Updated 3 weeks ago
- Coupled-cluster package written in Python.☆45Updated last month
- A C++ library for the efficient evaluation of integrals over effective core potentials.☆28Updated last year
- Notes on Electronic Structure Theory (CHEM532)☆25Updated 7 months ago
- ☆59Updated 2 months ago