Science&Enigneering

MD related crystallography

##- 2016. 5. 24. 21:14
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Crystallography Open Database

http://www.crystallography.net/cod/


To visualize the crystal stucture, better to use avogadro(http://avogadro.cc/wiki/Main_Page). Note that avogadro has some problem with handling LAMMPS input data file.


OVITO(http://www.ovito.org/) is the best one to visualize the LAMMPS input file and its output file as well. Open software.


In order to construct LAMMPS input file, recommend moltemplate(http://www.moltemplate.org/). It requires your knowledge in crystallography.



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