Search Results for "lammps"
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Showing 2 open source projects for "lammps"
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Molecular Dynamics Studio
Molecular Dynamics Cell Construction
...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 file based 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/ -
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This project aims at providing a user package for the molecular dynamics software LAMMPS, which allows the complete simulation to run on a GPU. Additional information and svn access to "bleeding etch" code can be found on the project website below.
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