piecuch-group / ccpyLinks
Coupled-cluster package written in Python.
☆46Updated 2 weeks ago
Alternatives and similar repositories for ccpy
Users that are interested in ccpy are comparing it to the libraries listed below
Sorting:
- adcc: Seamlessly connect your program to ADC☆38Updated 2 months ago
- A Python package for wave function-based quantum embedding☆37Updated last week
- PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.☆54Updated 2 weeks ago
- MRH's research code☆25Updated 2 weeks ago
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals☆84Updated last year
- Symbolic manipulation of operator strings for quantum chemistry☆21Updated 2 years ago
- ☆60Updated 5 months ago
- I can't believe it's NonAbelian!☆30Updated 4 months ago
- pyscf-forge is a staging ground for code that may be suitable for pyscf-core☆43Updated 2 weeks ago
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆33Updated last month
- ☆40Updated last year
- Python implementation of electronic structure theories for simulating spectroscopic properties☆18Updated last week
- ☆60Updated 5 months ago
- TREX I/O library☆61Updated 2 months ago
- ☆12Updated 9 months ago
- ☆48Updated last week
- Repository for all summer program related programs☆47Updated 3 months ago
- TheoDORE - A package for Theoretical Density, Orbital Relaxation and Exciton analysis☆35Updated 3 weeks ago
- Correlation consistent Gaussian basis sets for solids☆24Updated 6 months ago
- Python library for analytical evaluation and integration of Gaussian-type basis functions and related quantities.☆56Updated 2 months ago
- An example to implement PBC SCF☆14Updated 7 years ago
- Release-only repository for SCINE QCMaquis, the DMRG software from the Reiher group.☆45Updated 2 months ago
- Donostia Natural Orbital Functional Software☆21Updated last month
- Crawford's Quantum Chemistry Exercises by Python approach☆32Updated 3 years ago
- Open Orbital Optimizer☆31Updated last week
- An open source program for the description of metastable electronic states in molecules.☆22Updated 7 months ago
- Pythonic electronic structure theory.☆21Updated last week
- Gauge-including magnetically induced currents.☆31Updated last year
- Hartree-Fock Python☆20Updated 2 years ago
- Mathematica modules for electronic structure calculations☆36Updated 2 years ago