espressomd-users
[Top][All Lists]
Advanced

[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

[ESPResSo] Dihedral potential


From: Axel Arnold
Subject: [ESPResSo] Dihedral potential
Date: Mon, 21 Jan 2008 13:57:05 +0100
User-agent: KMail/1.7.1

Hi all,

I have just commited a generalized version of the dihedral potential that 
works for arbitrary phase shifts. However,

THE DEFINITION OF THE DIHEDRAL PHASE SHIFT HAS CHANGED!

Previously it was a factor that could only take values +-1, now it is the 
angle of one of the minima. If you want to run old scripts without changing 1 
into 0 or -1 into -[PI], then you can simply use the switch OLD_DIHEDRAL, 
which restores the previous behavior. Be aware that this switch might 
disappear later!

Axel

-- 
Dr. Axel Arnold 
Fraunhofer Institute for Algorithms and Scientific Computing (SCAI)
Schloss Birlinghoven
53754 Sankt Augustin
Germany



reply via email to

[Prev in Thread] Current Thread [Next in Thread]