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...PACKMOL can generate a random collection of molecules using the molecule templates from NanoEngineer-1 thus providing the initial MD cell. Modifications to PACKMOL allow the atom type data to be passed through to the MSI2LMP software. MSI2LMP creates a LAMMPS input filebased on class I or class II force fields. MSI2LMP was modified to use numerically coded force field data generated by NanoEngineer-1. The MMP file format was extended and integrated into all three software applications.
http://www.nanoengineer-1.net
http://www.ime.unicamp.br/~martinez/packmol/
http://lammps.sandia.gov/
This utility, lingen, implements evolution of native machine code via linear genetic programming. The assembly level code uses a subset of assembly language which manipulates and performs calculations using the floating point unit (FPU) of the CPU.