Re: How did I set the H atom as a “dummy” atom?
ning.zh... at gmail.com
ning.zh... at gmail.com
Mon Jun 15 08:47:33 UTC 2015
Thanks for the Samuel Andermatt. Many appreciations give you.
Ning
在 2015年6月15日星期一 UTC+8下午3:46:15,Samuel Andermatt写道:
>
> 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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