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[ESPResSo] a question about domain decomposition
From: |
Ana Vila Verde |
Subject: |
[ESPResSo] a question about domain decomposition |
Date: |
Fri, 09 May 2008 15:57:34 +0200 |
User-agent: |
Thunderbird 2.0.0.9 (X11/20071115) |
Dear Espresso users/developers,
Could someone clarify what happens during an Espresso simulation when
the *cellsystem* option is not specified in the simulation input file?
The reason I am confused is that the Espresso manual says "The domain
decomposition cellsystem is the default system...". Does this mean that
this option is active even if my input file does NOT include
"cellsystem domain_decomposition"? Or does this sentence mean that this
is normally the most appropriate option, so for most simulations I
should explicitly include it in the simulation input file?
If I don't specify any cellsystem in my simulation input file, is
Espresso simply calculating all non-bonded interactions (the number of
which goes as n²), or is it using domain decomposition?
Thank you for all the help you can provide; I really appreciate it.
Best regards,
Ana
--
_______________________________________________________
Ana Vila Verde
Post-doctoral scholar
FOM Institute for Atomic and Molecular Physics [AMOLF]
P.O.Box 41883
1009 DB Amsterdam
The Netherlands
Phone: +31-20-6081392
Fax: +31-20-6684106
E-mail: address@hidden
University of Minho
Physics Center
Campus de Gualtar
4710-057 BRAGA
Portugal
E-mail:address@hidden
_______________________________________________________
- [ESPResSo] a question about domain decomposition,
Ana Vila Verde <=