Is it possible to input velocities of some atoms in OpenMX molecular dynamics? I want to carry out the simulation of hydrogen moving to graphite, but I don’t know how to input velocity of hydrogen atom.
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Re: Velocities in MD( No.1 )
Date: 2006/11/04 01:28
Name: T.Ozaki
Hi,
It is possible to give the initial velocity of each atom in the Ver.3.1. See also the 'What's new'.
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Velocities in MD
Re: Velocities in MD