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On 11/02/2012 12:52 AM, Elisabeth wrote:
<blockquote
cite="mid:CAGioFshMYA4UgR7L8NTKGNyrCkmhM8xbQEutFp0Q+OT+TfrMZw@mail.gmail.com"
type="cite">Hello all,<br>
<br>
Does the shift function use group based truncation?</blockquote>
<br>
See the discussion of charge groups in manual section 3.4.2.<br>
<br>
<blockquote
cite="mid:CAGioFshMYA4UgR7L8NTKGNyrCkmhM8xbQEutFp0Q+OT+TfrMZw@mail.gmail.com"
type="cite"> In the manual I see: by using shifted forces there is
no need for charge groups (=group based?!) in the neighbor list? <br>
<br>
Can anyone shed some light on calculation of shifted forces? <br>
</blockquote>
<br>
What's not clear from the above and 4.1.5?<br>
<br>
Mark<br>
<br>
<blockquote
cite="mid:CAGioFshMYA4UgR7L8NTKGNyrCkmhM8xbQEutFp0Q+OT+TfrMZw@mail.gmail.com"
type="cite">
<br>
Thanks,<br>
Eli<br>
<br>
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<br>
</blockquote>
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