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Re: [ESPResSo] Harmonic bonds
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From: |
Axel Arnold |
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Subject: |
Re: [ESPResSo] Harmonic bonds |
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Date: |
Tue, 12 Oct 2010 14:58:14 +0200 |
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User-agent: |
KMail/1.12.2 (Linux/2.6.31-22-generic; KDE/4.3.2; i686; ; ) |
On Tuesday 12 October 2010 14:18:25 Mikhail Stukan wrote:
> {interactions
> {1 HARMONIC 100.0 1.0 -1.0}
> .....
> }
>
> My question is about the last "-1.0". According to the manual the format
> is :
>
> inter bondid harmonic K R
A quick look at the code shows that the last parameter is an optional cutoff.
-1 means it is not set, so the bond only breaks if the particles are not on
the same processor, otherwise it breaks already at the specified cutoff.
Axel
--
Axel Arnold
Martha-Schmidtmann-Str. 7 Phone: +49-160-9166-7532
D-70374 Stuttgart E-Mail: address@hidden