MolSSI-Education / S2I2Links
Code and other materials for the S2I2 Software Summer School
☆12Updated 8 years ago
Alternatives and similar repositories for S2I2
Users that are interested in S2I2 are comparing it to the libraries listed below
Sorting:
- C++ library for the implementation of tensor product calculations through a clean, concise user interface.☆24Updated 2 years ago
- ERKALE -- HF/DFT from Hel☆51Updated 2 months ago
- TREX I/O library☆58Updated 2 weeks ago
- GauXC is a modern, modular C++ library for the evaluation of quantities related to the exchange-correlation (XC) energy (e.g. potential, …☆36Updated last month
- XCFun: A library of exchange-correlation functionals with arbitrary-order derivatives☆60Updated 2 years ago
- Code generator for simint vectorized integrals☆28Updated 2 years ago
- MolSSI Integral Reference Project☆25Updated 4 years ago
- PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.☆52Updated 2 months ago
- High-Performance configuration patterns and recipes.☆45Updated last week
- Reusable DFT Grids for the Masses☆16Updated last year
- Open Source Exascale Computational Chemistry Software☆27Updated 3 weeks ago
- Open source stochastic quantum chemistry☆76Updated last month
- Install PGI Community Edition on Travis CI☆16Updated 11 months ago
- ☆59Updated 2 months ago
- Domain specific library for electronic structure calculations☆149Updated this week
- Brilliantly Advanced General Electronic-structure Library☆113Updated 5 months ago
- LSMS is a code for scalable first principles calculations of materials using multiple scattering theory.☆28Updated this week
- GW-BSE for excited state Quantum Chemistry in a Gaussian Orbital basis, electronic spectroscopy with QM/MM, charge and energy dynamics in…☆29Updated 3 years ago
- Libint: high-performance library for computing Gaussian integrals in quantum mechanics☆251Updated last month
- optking: A molecular geometry optimization program☆23Updated 2 weeks ago
- ☆22Updated 2 months ago
- An optimized libcint branch for X86 architecture☆29Updated 3 weeks ago
- Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters☆44Updated last month
- Quantum Package : a programming environment for wave function methods☆76Updated this week
- GPU-accelerated Quantum ESPRESSO using CUDA FORTRAN☆63Updated 5 years ago
- An API for the Polarizable Continuum Model☆35Updated 2 years ago
- CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry☆70Updated last month
- Numerical integration grid for molecules.☆50Updated last week
- The public repository of the Chronus Quantum (ChronusQ) Software Package☆18Updated 3 weeks ago
- Developer repository for the LATTE code☆46Updated 4 months ago