felipelewyee / PyNOFLinks
☆14Updated last month
Alternatives and similar repositories for PyNOF
Users that are interested in PyNOF are comparing it to the libraries listed below
Sorting:
- Library for local orbital scaling correction (LOSC).☆16Updated last year
- Cornell-Holland Ab-initio Materials Package☆16Updated 11 months ago
- Dyson equation solvers for Green's function methods☆10Updated this week
- An open-source library for reduced-density matrix-based analysis and computation☆20Updated 2 years ago
- n2v: Density-to-potential Inversion Suite☆23Updated 2 years ago
- The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …☆20Updated 3 weeks ago
- Personal collection of scripts to handle FHI-aims calculations.☆11Updated last year
- CCT3: A PSI4 plugin which performs active-space coupled-cluster CCSDt calculations and which can determine non-iterative corrections to C…☆13Updated last year
- Molecular integrals over Gaussian basis functions using sympy.☆15Updated 10 months ago
- Donostia Natural Orbital Functional Software☆20Updated 8 months ago
- Projectively-optimized geminal and "fancyCI" wavefunctions☆17Updated 2 years ago
- GMTKN test sets in python☆11Updated 3 years ago
- gammcor code☆11Updated 5 months ago
- SPMS table of pseudopotentials☆19Updated 2 years ago
- Stack of codes for dedicated pre- and post-processing tasks for Quantum Machine Learning (QML)☆18Updated last week
- Geometrical Counter-Poise Correction☆11Updated 8 months ago
- A variational 2-RDM-driven CASSCF plugin to Psi4☆11Updated 4 years ago
- Point symmetry analysis tool for theoretical chemistry objects☆20Updated 4 months ago
- Pythonic electronic structure theory.☆18Updated 2 months ago
- Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s☆20Updated last year
- SOC integrals generator with atomic mean field approximation☆10Updated 3 weeks ago
- Parallel Computational Chemistry Application☆18Updated 7 years ago
- ☆11Updated 11 months ago
- ☆13Updated last month
- MOHA: MOlecular HAmiltonian☆15Updated last year
- systematic molecular fragmentation by annihilation☆11Updated 5 years ago
- Natural-orbital Functional based on PySCF☆10Updated 11 months ago
- Python version of Grimme's D3-dispersion correction for Gaussian input/output☆17Updated 2 years ago
- Python library for analytical evaluation and integration of Gaussian-type basis functions and related quantities.☆53Updated 3 weeks ago
- OpenRSP: open-ended response theory.☆16Updated 4 years ago