QMCPACK / qmcpackLinks
Main repository for QMCPACK, an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic structure of atoms, molecules, and solids with full performance portable GPU support
☆355Updated 2 weeks ago
Alternatives and similar repositories for qmcpack
Users that are interested in qmcpack are comparing it to the libraries listed below
Sorting:
- Libint: high-performance library for computing Gaussian integrals in quantum mechanics☆250Updated last month
- Domain specific library for electronic structure calculations☆147Updated last week
- A Toolbox for Research on Interacting Quantum Systems. Supported by the Flatiron Institute.☆159Updated last week
- This is the official GPL repository of the yambo code☆117Updated this week
- Standalone NECI codebase designed for FCIQMC and other stochastic quantum chemistry methods.☆47Updated 2 years ago
- general GTO integrals for quantum chemistry☆230Updated last week
- DFTB+ general package for performing fast atomistic simulations☆380Updated this week
- DFT-FE: Real-space DFT calculations using Finite Elements☆144Updated last week
- The official github mirror of the Abinit repository. We welcome bug fixes and improvements. Note that most of the active developments are…☆236Updated last month
- Quantum Package : a programming environment for wave function methods☆76Updated 3 weeks ago
- Official repository of the Wannier90 code☆280Updated 3 months ago
- ☆51Updated 4 months ago
- Many-Body Perturbation solvers for Green project☆12Updated this week
- CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry☆70Updated last month
- Provides compile-time contraction pattern analysis to determine optimal tensor operation to perform.☆61Updated this week
- A Python package to generate and evaluate many-body diagrams☆17Updated 2 years ago
- Multiresolution Adaptive Numerical Environment for Scientific Simulation☆208Updated last week
- Official mirror of Quantum ESPRESSO☆49Updated 7 years ago
- C library for finding and handling crystal symmetries☆327Updated this week
- TBLIS is a library and framework for performing tensor operations, especially tensor contraction, using efficient native algorithms.☆131Updated last week
- Open source stochastic quantum chemistry☆76Updated last month
- GPU-accelerated Quantum ESPRESSO using CUDA FORTRAN☆63Updated 5 years ago
- Atomistic simulator for magnetic materials☆139Updated 2 weeks ago
- Core ALPS libraries☆106Updated 4 months ago
- PySCF website and documentation☆35Updated 3 weeks ago
- Scientific Python package for tight-binding calculations in solid state physics☆198Updated last year
- DBCSR: Distributed Block Compressed Sparse Row matrix library☆145Updated last week
- High-Performance configuration patterns and recipes.☆46Updated this week
- ☆55Updated 2 months ago
- Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations☆212Updated last week