xsligroup / chronusq_publicLinks
The public repository of the Chronus Quantum (ChronusQ) Software Package
☆19Updated 4 months ago
Alternatives and similar repositories for chronusq_public
Users that are interested in chronusq_public are comparing it to the libraries listed below
Sorting:
- A Python package for wave function-based quantum embedding☆37Updated last month
- Open Orbital Optimizer☆32Updated last month
- Donostia Natural Orbital Functional Software☆22Updated this week
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆34Updated last month
- Symbolic manipulation of operator strings for quantum chemistry☆21Updated 2 years ago
- Realtime Extensions to PySCF (TDDFT etc.)☆11Updated 8 years ago
- The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …☆20Updated last week
- Repository for PseudopotentialLibrary.org website and database☆15Updated 3 months ago
- adcc: Seamlessly connect your program to ADC☆38Updated last week
- Python implementation of electronic structure theories for simulating spectroscopic properties☆18Updated 2 weeks ago
- Correlation consistent Gaussian basis sets for solids☆24Updated 6 months ago
- Coupled-cluster package written in Python.☆46Updated last month
- PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.☆54Updated last month
- MRH's research code☆25Updated this week
- QuAcK: a software for emerging quantum electronic structure methods☆30Updated last week
- ☆12Updated 10 months ago
- QMC=Chem version 2☆20Updated last month
- ☆13Updated 2 months ago
- Hartree-Fock Python☆20Updated 2 years ago
- n2v: Density-to-potential Inversion Suite☆24Updated 3 years ago
- An example to implement PBC SCF☆14Updated 7 years ago
- ☆60Updated 5 months ago
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals☆84Updated last year
- A modern C++ library for high-performance configuration interaction methods☆19Updated 2 months ago
- Pythonic electronic structure theory.☆21Updated last week
- An open source program for the description of metastable electronic states in molecules.☆23Updated 7 months ago
- Set of tools for trexio files☆19Updated last month
- Gold-Standard Chemical Database 138 (GSCDB138)☆30Updated last week
- Cornell-Holland Ab-initio Materials Package☆17Updated last year
- The release-only repository of the subsystem focused quantum chemistry code Serenity☆44Updated 7 months ago