ak-ustutt / GeCCo-public
public version of our general contraction code project
☆11Updated last year
Alternatives and similar repositories for GeCCo-public:
Users that are interested in GeCCo-public are comparing it to the libraries listed below
- adcc: Seamlessly connect your program to ADC☆35Updated last week
- SOC integrals generator with atomic mean field approximation☆10Updated this week
- Python implementation of electronic structure theories for simulating spectroscopic properties☆16Updated 2 weeks ago
- Coupled-cluster package written in Python.☆38Updated last month
- ☆11Updated 3 weeks ago
- MRH's research code☆23Updated this week
- ☆10Updated 2 months ago
- Symbolic manipulation of operator strings for quantum chemistry☆21Updated 2 years ago
- ☆49Updated 3 months ago
- Correlation consistent Gaussian basis sets for solids☆23Updated 11 months ago
- I can't believe it's NonAbelian!☆16Updated last month
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆28Updated last year
- A Python package for wave function-based quantum embedding☆34Updated 3 weeks ago
- PyMES is a package for developing new methods in quantum chemistry.☆12Updated last week
- PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.☆48Updated last week
- An example to implement PBC SCF☆14Updated 6 years ago
- An open source program for the description of metastable electronic states in molecules.☆21Updated last week
- Open Orbital Optimizer☆22Updated 2 weeks ago
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals☆82Updated 10 months ago
- Repository for PseudopotentialLibrary.org website and database☆14Updated 9 months ago
- ☆26Updated 6 months ago
- systematic molecular fragmentation by annihilation☆11Updated 5 years ago
- A Wick theorem kernel written in C++ and interfaced with Python☆45Updated 2 months ago
- Quantum Chemistry Course @ BNU2021☆22Updated 2 years ago
- TREX I/O library☆50Updated 3 months ago
- QuAcK: a software for emerging quantum electronic structure methods☆24Updated this week
- Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids☆36Updated last year
- Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters☆42Updated last month
- ☆58Updated last week
- An MPO-based DMRG code for Quantum Chemistry☆12Updated 6 years ago