hande-qmc / handeLinks
Open source stochastic quantum chemistry
☆76Updated 2 months ago
Alternatives and similar repositories for hande
Users that are interested in hande are comparing it to the libraries listed below
Sorting:
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals☆82Updated last year
- Standalone NECI codebase designed for FCIQMC and other stochastic quantum chemistry methods.☆47Updated 2 years ago
- CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry☆70Updated last month
- Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters☆44Updated this week
- TREX I/O library☆53Updated this week
- Quantum Package : a programming environment for wave function methods☆74Updated last week
- ☆53Updated 3 weeks ago
- ☆58Updated last week
- Coupled-cluster package written in Python.☆41Updated last month
- PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.☆52Updated last week
- adcc: Seamlessly connect your program to ADC☆36Updated last week
- Brilliantly Advanced General Electronic-structure Library☆107Updated 3 months ago
- Python library for analytical evaluation and integration of Gaussian-type basis functions and related quantities.☆51Updated 9 months ago
- HORTON: Helpful Open-source Research TOol for N-fermion systems☆97Updated 5 months ago
- MolSSI Integral Reference Project☆25Updated 4 years ago
- Code generator for simint vectorized integrals☆28Updated 2 years ago
- Set of quantum chemistry programs and libraries☆44Updated 4 years ago
- A fully autodifferentiable and variational HF☆42Updated 5 years ago
- Numerical integration grid for molecules.☆50Updated 8 months ago
- Many-body dispersion library☆55Updated 9 months ago
- A Python package for wave function-based quantum embedding☆34Updated last week
- Quantum Monte Carlo package, TurboRVB☆29Updated 4 months ago
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆30Updated 2 years ago
- An API for the Polarizable Continuum Model☆34Updated 2 years ago
- Materials used in a school on QMC methods☆26Updated 5 years ago
- Generate 1- and 2-electron integrals so that molecular quantum chemistry software can be used for model Hamiltonians.☆34Updated 2 weeks ago
- ☆44Updated this week
- MultiResolution Chemistry☆33Updated 2 months ago
- QMC=Chem version 2☆19Updated 2 months ago
- ☆51Updated 3 months ago