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ICTP-MD
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A simple modular MPI+OpenMP classical MD engine written in Fortran 95
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The code in this  project is primarily targeted to be used as a teaching
tool for classes  and workshops  on software  development for scientific
high-performance computing  applications.  It is supposed to demonstrate
important  concepts  and allow  practicing  to work  on a  collaborative
project,  without  having  to  learn  an overly  complex  and  elaborate
infrastructure, as would  be needed  when working on a real life project
which aims for absolute best performance and scaling. Here preference is
given to simplicity and maintainability.

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A simple MPI/OpenMP parallel classical MD engine written in Fortran

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  • Fortran 90.8%
  • Perl 7.0%
  • Makefile 1.9%
  • Shell 0.3%