UFParLab / aces4Links
Parallel Computational Chemistry Application
☆18Updated 7 years ago
Alternatives and similar repositories for aces4
Users that are interested in aces4 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 3 weeks ago
- Cornell-Holland Ab-initio Materials Package☆16Updated 11 months ago
- An open-source library for reduced-density matrix-based analysis and computation☆20Updated 2 years ago
- Library for local orbital scaling correction (LOSC).☆16Updated last year
- C++ implemented Coordinate Descent Full Configuration Interaction (CDFCI) package for quantum chemistry calculation.☆18Updated 5 years ago
- A variational 2-RDM-driven CASSCF plugin to Psi4☆11Updated 4 years ago
- Donostia Natural Orbital Functional Software☆20Updated 8 months ago
- MOHA: MOlecular HAmiltonian☆15Updated last year
- SeQuant: second quantization toolkit☆16Updated 2 years ago
- Dyson equation solvers for Green's function methods☆10Updated this week
- A very simple quantum chemistry program☆9Updated 6 years ago
- SOC integrals generator with atomic mean field approximation☆10Updated 3 weeks ago
- Natural-orbital Functional based on PySCF☆10Updated 11 months ago
- ☆13Updated last month
- QuAcK: a software for emerging quantum electronic structure methods☆28Updated last week
- GMTKN test sets in python☆11Updated 3 years ago
- A modular electronic structure theory code☆21Updated 6 years ago
- Python implementation of electronic structure theories for simulating spectroscopic properties☆17Updated 2 weeks ago
- systematic molecular fragmentation by annihilation☆11Updated 5 years ago
- Main repository for the CP-PAW code☆11Updated 7 months ago
- gammcor code☆11Updated 5 months ago
- decodense: Bond- and atom-wise decompositions of HF and KS-DFT calculations☆11Updated 8 months ago
- Set of tools for trexio files☆19Updated last week
- Reusable DFT Grids for the Masses☆16Updated last year
- Correlation consistent Gaussian basis sets for solids☆23Updated 2 months ago
- ☆14Updated last month
- Multi-collinear functional☆10Updated 5 months ago
- Automatic MR based on PySCF☆15Updated 3 weeks ago
- Pythonic electronic structure theory.☆18Updated 2 months ago
- n2v: Density-to-potential Inversion Suite☆23Updated 2 years ago