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Scalable Car-Parrinello MD in Charm++
License: Other
openatom-1's Introduction
======================================================================= OpenAtom Massively Parallel Code v1.5a ======================================================================= ----------------------------------------------------------------------- DIRECTORY STRUCTURE ----------------------------------------------------------------------- The important directories in this distribution are: Charm++ driver : src_charm_driver PINY physics : src_piny_physics_v1.0 Math routines : src_mathlib Test configurations : tests Build files : makefiles Documentation : doc Simulation data : data ----------------------------------------------------------------------- INSTALLATION ----------------------------------------------------------------------- To build OpenAtom read the INSTALL file =======================================================================
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