Multi-collinear / MCfunLinks
Multi-collinear functional
☆10Updated 8 months ago
Alternatives and similar repositories for MCfun
Users that are interested in MCfun are comparing it to the libraries listed below
Sorting:
- The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …☆20Updated last week
- ☆14Updated 5 months ago
- MOHA: MOlecular HAmiltonian☆15Updated 2 years ago
- n2v: Density-to-potential Inversion Suite☆23Updated 3 years ago
- decodense: Bond- and atom-wise decompositions of HF and KS-DFT calculations☆11Updated last year
- A variational 2-RDM-driven CASSCF plugin to Psi4☆11Updated 4 years ago
- Parallel Computational Chemistry Application☆18Updated 8 years ago
- Natural-orbital Functional based on PySCF☆10Updated last year
- Library for local orbital scaling correction (LOSC).☆17Updated last year
- An open-source library for reduced-density matrix-based analysis and computation☆20Updated 2 years ago
- Pythonic electronic structure theory.☆21Updated last week
- gammcor code☆11Updated 2 months ago
- systematic molecular fragmentation by annihilation☆11Updated 6 years ago
- ☆13Updated last month
- SeQuant: second quantization toolkit☆16Updated 3 years ago
- CCT3: A PSI4 plugin which performs active-space coupled-cluster CCSDt calculations and which can determine non-iterative corrections to C…☆13Updated 2 years ago
- SOC integrals generator with atomic mean field approximation☆10Updated 4 months ago
- Dyson equation solvers for Green's function methods☆10Updated this week
- Automatic MR based on PySCF☆16Updated last month
- QuAcK: a software for emerging quantum electronic structure methods☆30Updated this week
- Main repository for the CP-PAW code☆11Updated 3 weeks ago
- GMTKN test sets in python☆11Updated 3 years ago
- Donostia Natural Orbital Functional Software☆21Updated last month
- efficient TDDFT-ris based on MOKIT and PySCF☆20Updated 9 months ago
- Massively parallel software for quantum chemistry calculations☆18Updated 3 years ago
- Cornell-Holland Ab-initio Materials Package☆17Updated last year
- Set of tools for trexio files☆19Updated last month
- A python script to obtain XYG3-type doubly hybrid (xDH) results using the standard Gaussian xx package (xx=03, 09 and/or 16)☆15Updated 3 years ago
- A modular electronic structure theory code☆21Updated 7 years ago
- Point symmetry analysis tool for theoretical chemistry objects☆21Updated last month