[Top][All Lists]
[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]
Re: [ESPResSo] Non-cubic simulation box
From: |
Olaf Lenz |
Subject: |
Re: [ESPResSo] Non-cubic simulation box |
Date: |
Tue, 04 Mar 2008 17:03:01 +0100 |
User-agent: |
Mozilla/5.0 (X11; U; Linux i686; en-US; rv:1.8.1.1) Gecko/20061214 SUSE/1.99.1-38.1 Thunderbird/2.0b1 Mnenhy/0.7.4.0 |
-----BEGIN PGP SIGNED MESSAGE-----
Hash: RIPEMD160
Post scriptum:
As a colleague of mine has correctly commented, not all algorithms
implemented in ESPResSo do actually support non-cubic, rectangular
systems. In particular, the current implementation of the P3M algorithm
for electrostatics does not allow for non-cubic systems.
However, extending the P3M implementation to be able to handle generic
rectangular systems should be possible without too much effort.
Best regards
Olaf Lenz
-----BEGIN PGP SIGNATURE-----
Version: GnuPG v1.4.6 (GNU/Linux)
Comment: Using GnuPG with Mozilla - http://enigmail.mozdev.org
iD8DBQFHzXK1tQ3riQ3oo/oRA9IcAJ0bW37+su0zw86eA7k1lWeFtTNs8QCfQaIe
Z9sshDL0HdxNMknRpTAPy4w=
=GQmA
-----END PGP SIGNATURE-----