pernalk / GAMMCORLinks
gammcor code
β11Updated 3 months ago
Alternatives and similar repositories for GAMMCOR
Users that are interested in GAMMCOR are comparing it to the libraries listed below
Sorting:
- Dyson equation solvers for electron propagator methodsβ10Updated last month
- π§° A simple yet precise graphical user interface for making inputs for the ORCA quantum chemistry packageβ8Updated 3 years ago
- QuAcK: a software for emerging quantum electronic structure methodsβ24Updated last week
- Donostia Natural Orbital Functional Softwareβ19Updated 6 months ago
- A step-by-step tutorial to code the McMurchie-Davidson scheme to compute molecular integralsβ10Updated 3 years ago
- Automatic MR based on PySCFβ13Updated 3 weeks ago
- Library for local orbital scaling correction (LOSC).β16Updated 10 months ago
- Automatic equation of motion coupled cluster generatorβ16Updated last year
- DensToolKit is a suite of programs for analyzing the molecular electron density (Ο) and several fields derived from it. DTK also includeβ¦β13Updated last month
- A modular electronic structure theory codeβ21Updated 6 years ago
- n2v: Density-to-potential Inversion Suiteβ23Updated 2 years ago
- β14Updated 4 months ago
- Crawford's Quantum Chemistry Exercises by Python approachβ30Updated 2 years ago
- The release-only repository of the subsystem focused quantum chemistry code Serenityβ34Updated last month
- GMTKN test sets in pythonβ11Updated 3 years ago
- systematic molecular fragmentation by annihilationβ11Updated 5 years ago
- The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations β¦β19Updated last week
- Reusable DFT Grids for the Massesβ16Updated last year
- Mathematica modules for electronic structure calculationsβ29Updated last year
- Projectively-optimized geminal and "fancyCI" wavefunctionsβ17Updated 2 years ago
- Pythonic electronic structure theory.β17Updated last week
- Natural-orbital Functional based on PySCFβ10Updated 9 months ago
- Python implementation of electronic structure theories for simulating spectroscopic propertiesβ17Updated last week
- Finite element methods for electronic structure calculations on small systemsβ38Updated last month
- Electronegativity equilibration model for atomic partial chargesβ18Updated 3 weeks ago
- Cornell-Holland Ab-initio Materials Packageβ16Updated 9 months ago
- Coupled-cluster package written in Python.β39Updated last week
- β11Updated this week
- Geometrical Counter-Poise Correctionβ11Updated 6 months ago
- SOC integrals generator with atomic mean field approximationβ10Updated 2 weeks ago