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chrismacdermaid/LJMD-LAMMPS
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JLMD ++ A port of Axel Kohlmeyer's LJMD code written in CPP with the spirit of the LAMMPS coding model. Original LJMD code: http://sites.google.com/site/akohlmey/software/ljmd The goals of this project are the following: 1. Use a simple problem to illustrate parallelism and appropirate implementation in cpp. 2. Help people unfamiliar with C++ get acquainted in a non-intimidating way. 3. Help people unfamiliar with MD get acquainted in a non-intimidating way. 4. Compare timings between codes with additional/variable levels of overhead/abstraction. 5. Include many comments so as to be readable and understandable to novices. 6. Retain the basic idea in LJMD, but use the CPP paradigms found in the LAMMPS code. #mpicxx -arch i386 ljmd.cpp error.cpp memory.cpp universe.cpp main.cpp -o ljmd mpicxx -arch i386 ljmd.cpp error.cpp memory.cpp universe.cpp atom.cpp modify.cpp update.cpp compute.cpp force.cpp pair.cpp compute_ke.cpp fix_nve.cpp fix.cpp pair_lj_cut.cpp domain.cpp main.cpp -o ljmd
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A stripped down version of LAMMPS that does simple LJ molecular dynamics for single atom types
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