ls1mardyn / ls1-mardynLinks
ls1-MarDyn is a massively parallel Molecular Dynamics (MD) code for large systems. Its main target is the simulation of thermodynamics and nanofluidics. ls1-MarDyn is designed with a focus on performance and easy extensibility.
☆32Updated last month
Alternatives and similar repositories for ls1-mardyn
Users that are interested in ls1-mardyn are comparing it to the libraries listed below
Sorting:
- MiniMD Molecular Dynamics Mini-App☆50Updated 8 months ago
- Molecular dynamics proxy application based on Cabana☆21Updated 9 months ago
- Open Source Exascale Quantum Chemistry Software☆28Updated 2 weeks ago
- MGmol is a scalable O(N) First-Principles Molecular Dynamics code that is capable of performing large-scale electronics structure calcula…☆43Updated last week
- LSMS is a code for scalable first principles calculations of materials using multiple scattering theory.☆28Updated 2 months ago
- Contains build scripts and instructions for software on a variety of UK HPC resources☆88Updated last month
- Benchmark calculations with Quantum Espresso☆15Updated last year
- Library for steering campaigns of simulations on supercomputers☆58Updated 5 months ago
- ExaWorks SDK☆11Updated last year
- ScaFaCoS library for Fast Coulomb Solvers☆30Updated 9 months ago
- Developer repository for the LATTE code☆46Updated last month
- Efficient and easy to use fortran implementation of the Ewald summation method☆19Updated 2 years ago
- GW-BSE for excited state Quantum Chemistry in a Gaussian Orbital basis, electronic spectroscopy with QM/MM, charge and energy dynamics in…☆29Updated 4 years ago
- A scalable eigensolver for dense, symmetric (hermitian) matrices (fork of https://gitlab.mpcdf.mpg.de/elpa/elpa.git)☆36Updated 3 months ago
- RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density function…☆54Updated this week
- GOMC - GPU Optimized Monte Carlo is a parallel molecular simulation code designed for high-performance simulation of large systems☆85Updated 3 weeks ago
- The CPMD code is a parallelized plane wave / pseudopotential implementation of Density Functional Theory, particularly designed for ab-in…☆45Updated 2 years ago
- Domain specific library for electronic structure calculations☆156Updated 3 weeks ago
- A lightweight, object-oriented C++ library that contains a general framework for creating custom kinetic Monte Carlo simulation software …☆21Updated 5 years ago
- GauXC is a modern, modular C++ library for the evaluation of quantities related to the exchange-correlation (XC) energy (e.g. potential, …☆40Updated this week
- Repo for a DOE HPC workflow training event☆13Updated 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
- Routines for Radial Integration of Dirac, Schrödinger, and Poisson Equations☆82Updated 10 months ago
- Main ESPResSo++ repository☆45Updated last month
- A Framework for Metropolis Monte Carlo Simulation of Molecular Systems☆72Updated 2 months ago
- MultiResolution Chemistry☆36Updated 2 weeks ago
- GPU-accelerated Quantum ESPRESSO using CUDA FORTRAN☆65Updated 5 years ago
- The main repository of Open Quantum Platform (OpenQP) maintained by Choi Group at KNU.☆42Updated 3 weeks ago
- Exchange correlation (XC) library for density functional theory (DFT) calculations in modern C++☆27Updated last month
- PAPRECA hybrid off-lattice kinetic Monte Carlo/molecular dynamics (kMC/MD) simulator☆13Updated 3 months ago