Re: How did I set the H atom as a “dummy” atom?

Samuel Andermatt samuel.a... at student.ethz.ch
Mon Jun 15 07:46:15 UTC 2015


You should specify two different Kinds (one Kind for the ghost atom, the 
other for the normal H atoms). You can give them both the element H. Just 
change the name of the atom in the input of the coordinates. I have not too 
much experience with multiple force_eval sections, therefore I cannot 
provide you more specific help.
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