MDACP

Molecular Dynamics code for Avogadro Challenge Project

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About

MDACP (Molecular Dynamics code for Avogadro Challenge Project) is an efficient implementations of classical molecular dynamics (MD) method for the Lennard-Jones particle systems. MDACP Ver. 1.xx adopts flat-MPI and Ver. 2.xx adopts MPI+OpenMP hybrid parallelization.

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Get the latest version of MDACP from here.

Document

Quick start and Class Reference (For version 1.xx)

Details of algorithms used in MDACP are described in the following papars.

MDACP: Copyright (C) 2010-2013, Hiroshi Watanabe, Masaru Suzuki, and Nobuyasu Ito, All rights reserved. Mersenne Twister (MT19937): Copyright (C) 1997-2002, Makoto Matsumoto and Takuji Nishimura, All rights reserved.
All source codes included in MDACP are published under the BSD Licence.

If you use MDACP in your published work, please cite the our paper and this site (http://mdacp.sourceforge.net/).

Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met:

Disclaimer

THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.

Developers

Here are the other MD programs which can be used freely.

History