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[ESPResSo-devel] User Guide on ELC and noneutralization
From: |
Medina Hernando, Stefan |
Subject: |
[ESPResSo-devel] User Guide on ELC and noneutralization |
Date: |
Thu, 23 Feb 2012 20:58:53 +0000 |
Hey guys,
I was wondering why there is no information in the user guide about how to use
ELC with dielectric contrast. The testsuite seems to work and the basic command
is the same as for MMM2D as far as I see, so maybe that would be a good idea to
add that.
Also, there is this thing with the "-noneutralization" command when dealing
with non-neutral systems. There is no information about that command in the
user guide as well. I now figured out for myself, that one has to add that
command, but I find its name somehow misleading. Actually when activating that
feature there IS a neutralization done by the artificially added homogeneous
background, so I would say its name should rather be neutralization, or even
better let it get that information from the total charge of the system itself.
What do you think?
Cheers,
Stefan
- [ESPResSo-devel] User Guide on ELC and noneutralization,
Medina Hernando, Stefan <=