cp2k / cp2k-svn
☆62Updated this week
Related projects: ⓘ
- Qball (also known as qb@ll) is a first-principles molecular dynamics code that is used to compute the electronic structure of atoms, mole…☆45Updated 7 months ago
- Official mirror of Quantum ESPRESSO☆48Updated 6 years ago
- High-Performance configuration patterns and recipes.☆45Updated last week
- Python framework for generating and validating pseudo potentials☆41Updated 10 months ago
- C++ library for the implementation of tensor product calculations through a clean, concise user interface.☆21Updated last year
- ERKALE -- HF/DFT from Hel☆46Updated 2 months ago
- Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters☆36Updated 4 months ago
- Developer repository for the LATTE code☆40Updated 9 months ago
- XCFun: A library of exchange-correlation functionals with arbitrary-order derivatives☆57Updated last year
- Open source stochastic quantum chemistry☆70Updated 3 weeks ago
- Many-body dispersion library☆51Updated last week
- A Universal Force Engine☆36Updated 5 years ago
- Domain specific library for electronic structure calculations☆122Updated last week
- GW-BSE for excited state Quantum Chemistry in a Gaussian Orbital basis, electronic spectroscopy with QM/MM, charge and energy dynamics in…☆29Updated 2 years ago
- ☆23Updated this week
- Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS☆84Updated 4 months ago
- MolSSI Integral Reference Project☆24Updated 3 years ago
- molecular point group symmetry lib☆73Updated last month
- ScaFaCoS library for Fast Coulomb Solvers☆26Updated 2 years ago
- Routines for Radial Integration of Dirac, Schrödinger, and Poisson Equations☆71Updated 10 months ago
- A test suite for the VASP electronic structure code☆36Updated 10 years ago
- An API for the Polarizable Continuum Model☆32Updated last year
- Main ESPResSo++ repository☆44Updated last week
- The ITAP Molecular Dynamics Program☆20Updated last year
- GPU-accelerated Quantum ESPRESSO using CUDA FORTRAN☆59Updated 4 years ago
- RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density function…☆46Updated this week
- ☆17Updated last week
- Quantum Chemistry Laboratory package☆19Updated 2 years ago
- The exciting code is a powerful open-source DFT package targeted to scientific developers and users that need a modern and adaptable plat…☆56Updated 5 months ago
- This is obsolete. Use this:☆20Updated 8 years ago