/mrmd

Multi Resolution Molecular Dynamics

Primary LanguageC++Apache License 2.0Apache-2.0

Build Status Lines of Code Code Size

MRMD

Multi Resolution Molecular Dynamics

How to Build

Requirements

Infrastructure

  • A C++17 compatible compiler
  • CMake >= 3.19

Libraries

  • MPI
  • Kokkos
    You need to build it yourself for the intended target architecture and backend.
  • parallel installation of HDF5

Will be downloaded automatically and compiled alongside MRMD:

Build Instructions

git clone https://github.com/XzzX/mrmd
cmake -S mrmd -B mrmd-build -DCMAKE_BUILD_TYPE=Release
cmake --build mrmd-build --target all -j 8