Awesome Open Source
Search
Programming Languages
Languages
All Categories
Categories
About
Search results for mpi molecular dynamics
molecular-dynamics
x
mpi
x
10 search results found
Openmd
⭐
68
Molecular Dynamics in the Open
Minimd
⭐
34
MiniMD Molecular Dynamics Mini-App
Enspara
⭐
32
Modeling molecular ensembles with scalable data structures and parallel computing
Q6
⭐
30
Q6 Repository -- EVB, FEP and LIE simulator.
Qball
⭐
27
Qball (also known as qb@ll) is a first-principles molecular dynamics code that is used to compute the electronic structure of atoms, molecules, solids, and liquids within the Density Functional Theory (DFT) formalism. It is a fork of the Qbox code by Francois Gygi.
Examinimd
⭐
24
Molecular dynamics proxy application based on Kokkos
Ls1 Mardyn
⭐
22
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.
Rxmd
⭐
18
RXMD : Linear-Scaling Parallel Reactive Molecular Dynamics Simulation Engine
Caracal
⭐
8
RPMD and rate constant calculations on black-box potential energy surfaces
Bluematter
⭐
7
This is BlueMatter, the molecular dynamics application which was used to exercise the BlueGene/L and BlueGene/P range of supercomputers. This code is written to the hardware interfaces on BlueGene/L and BlueGene/P, rather than to MPI; so it would require some rework to be usable on current supercomputers. Code not written by IBMers has been removed; you are recommended to visit http://fftw.org/ and http://numerical.recipes/ to find the missing code.
Related Searches
C Plus Plus Mpi (898)
C Mpi (693)
Python Mpi (459)
Parallel Mpi (442)
Mpi Openmp (367)
Python Molecular Dynamics (230)
1-10 of 10 search results
Privacy
|
About
|
Terms
|
Follow Us On Twitter
Copyright 2018-2024 Awesome Open Source. All rights reserved.