halmd-org / halmdLinks
HAL's MD package: Highly Accelerated Large-scale Molecular Dynamics simulations
☆22Updated last week
Alternatives and similar repositories for halmd
Users that are interested in halmd are comparing it to the libraries listed below
Sorting:
- MultiResolution Computation Program Package☆12Updated 2 months ago
- Exchange correlation (XC) library for density functional theory (DFT) calculations in modern C++☆21Updated 2 months ago
- Automatic code generation of Fast Multipole and Barnes-Hut operators☆19Updated 2 years ago
- Code generator for simint vectorized integrals☆28Updated 2 years ago
- MultiResolution Chemistry☆33Updated last month
- A CUDA project for Molecular Dynamics, Brownian Dynamics, Hydrodynamics... intended to simulate a very generic system constructing a simu…☆57Updated last week
- Main ESPResSo++ repository☆44Updated 6 months ago
- A fast domain decomposition based implementation of the COSMO solvation model☆15Updated 5 years ago
- MGmol is a scalable O(N) First-Principles Molecular Dynamics code that is capable of performing large-scale electronics structure calcula…☆43Updated last month
- ScaFaCoS library for Fast Coulomb Solvers☆29Updated 4 months ago
- Developer repository for the LATTE code☆45Updated 2 months ago
- Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters☆43Updated 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 3 years ago
- C++ and Python library for Polarizable Embedding☆22Updated 10 months ago
- C++ implementation of the smooth Particle-Mesh Ewald algorithm for dispersive forces. Moved to https://git.sr.ht/~jmbr/libpme6☆18Updated 7 years ago
- XCFun: A library of exchange-correlation functionals with arbitrary-order derivatives☆60Updated 2 years ago
- Corrections to the text of the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. Tildesley (2nd edition, Oxford Un…☆32Updated 2 years ago
- Open Source Exascale Computational Chemistry Software☆25Updated this week
- Plane-Wave density-functional theory (DFT) development for NWChemEx electronic structure software☆15Updated 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, …☆35Updated last month
- Many-body dispersion library☆55Updated 8 months ago
- The CPMD code is a parallelized plane wave / pseudopotential implementation of Density Functional Theory, particularly designed for ab-in…☆42Updated 2 years ago
- Library for Green’s function based electronic structure theory calculations☆24Updated last month
- A modern C++ library for high-performance configuration interaction methods☆16Updated 3 months ago
- A Framework for Metropolis Monte Carlo Simulation of Molecular Systems☆73Updated 3 weeks ago
- RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density function…☆48Updated 2 weeks ago
- A poor man's density functional theory program☆13Updated 7 months ago
- C++ library for the implementation of tensor product calculations through a clean, concise user interface.☆23Updated last year
- This is a mirror. Please check our main website on gitlab.☆29Updated last month
- optking: A molecular geometry optimization program☆23Updated 4 months ago