hande-qmc / handeLinks
Open source stochastic quantum chemistry
☆76Updated last week
Alternatives and similar repositories for hande
Users that are interested in hande are comparing it to the libraries listed below
Sorting:
- TREX I/O library☆62Updated last week
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals☆84Updated last year
- CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry☆73Updated 5 months ago
- Quantum Package : a programming environment for wave function methods☆77Updated 2 weeks ago
- Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters☆44Updated 2 weeks ago
- Standalone NECI codebase designed for FCIQMC and other stochastic quantum chemistry methods.☆54Updated 2 years ago
- Coupled-cluster package written in Python.☆46Updated last month
- ☆63Updated 6 months ago
- adcc: Seamlessly connect your program to ADC☆38Updated last week
- PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.☆54Updated last month
- ☆60Updated 5 months ago
- A Python package for wave function-based quantum embedding☆37Updated last month
- MultiResolution Chemistry☆39Updated last week
- Code generator for simint vectorized integrals☆29Updated 2 years ago
- RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density function…☆55Updated this week
- Python library for analytical evaluation and integration of Gaussian-type basis functions and related quantities.☆56Updated 2 months ago
- ☆53Updated last week
- Many-body dispersion library☆57Updated last month
- Quantum Monte Carlo package, TurboRVB☆31Updated last month
- Generate 1- and 2-electron integrals so that molecular quantum chemistry software can be used for model Hamiltonians.☆35Updated last month
- ERKALE -- HF/DFT from Hel☆52Updated 3 weeks ago
- QMC=Chem version 2☆20Updated last month
- Numerical integration grid for molecules.☆50Updated 4 months ago
- Release-only repository for SCINE QCMaquis, the DMRG software from the Reiher group.☆45Updated 3 months ago
- MolSSI Integral Reference Project☆26Updated 4 years ago
- Set of quantum chemistry programs and libraries☆44Updated 5 years ago
- Brilliantly Advanced General Electronic-structure Library☆117Updated 8 months ago
- Finite element methods for electronic structure calculations on small systems☆41Updated 2 months ago
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆34Updated last month
- Repository for all summer program related programs☆47Updated 4 months ago