UFParLab / aces4Links
Parallel Computational Chemistry Application
☆18Updated 8 years ago
Alternatives and similar repositories for aces4
Users that are interested in aces4 are comparing it to the libraries listed below
Sorting:
- Library for local orbital scaling correction (LOSC).☆17Updated last year
- C++ implemented Coordinate Descent Full Configuration Interaction (CDFCI) package for quantum chemistry calculation.☆18Updated 6 years ago
- Massively parallel software for quantum chemistry calculations☆18Updated 3 years ago
- Cornell-Holland Ab-initio Materials Package☆17Updated last year
- An open-source library for reduced-density matrix-based analysis and computation☆20Updated 2 years ago
- The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …☆20Updated last week
- Donostia Natural Orbital Functional Software☆22Updated 2 weeks ago
- Plane-Wave density-functional theory (DFT) development for NWChemEx electronic structure software☆14Updated this week
- MOHA: MOlecular HAmiltonian☆15Updated 2 years ago
- A very simple quantum chemistry program☆10Updated 7 years ago
- Natural-orbital Functional based on PySCF☆10Updated last year
- ☆13Updated last week
- MPI parallelization for PySCF☆34Updated last year
- Dyson equation solvers for Green's function methods☆11Updated last month
- A variational 2-RDM-driven CASSCF plugin to Psi4☆11Updated 4 years ago
- SeQuant: second quantization toolkit☆16Updated 3 years ago
- decodense: Bond- and atom-wise decompositions of HF and KS-DFT calculations☆11Updated last week
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆34Updated 2 months ago
- n2v: Density-to-potential Inversion Suite☆24Updated 3 years ago
- SOC integrals generator with atomic mean field approximation☆10Updated 6 months 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
- Reusable DFT Grids for the Masses☆19Updated 4 months ago
- Automatic MR based on PySCF☆16Updated 2 months ago
- QuAcK: a software for emerging quantum electronic structure methods☆30Updated this week
- gammcor code☆11Updated 3 months ago
- 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 C++ library for the efficient evaluation of integrals over effective core potentials.☆28Updated last year
- Code generator for simint vectorized integrals☆29Updated 2 years ago
- Notes on Electronic Structure Theory (CHEM532)☆25Updated 11 months ago
- Density matrix embedding theory for periodic systems☆18Updated 4 years ago