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Re: [ESPResSo-users] underhood help

From: Florian Weik
Subject: Re: [ESPResSo-users] underhood help
Date: Wed, 2 Dec 2015 17:58:47 +0100

there is the Developer Guide which is part of Espresso and can be build with make dg.
Unfortunately it is horribly outdated, but the sections about implementing a bonded or
nonbonded potential I think are still valid, maybe with some minor modifications, e.g. that
the bond types are now an enum.

Please describe what you want to do (you should always do that), if you are more specific I can give you more specific


On Wed, Dec 2, 2015 at 5:41 PM, Dudo <address@hidden> wrote:

please, is there a guide or a thread in mailing list on how to implement a new potential as a new feature? I think also there was something on under the hood 
session, but I can't find this exercise on the espressomd page..

Just in few steps, which files have to be changed would be helpful. 
As yet I've been using a modified potential, but there is an 'if' operand
going on every integration, which I would like to get rid of.

Kind regards,

Faculté de biologie et de médecine
Center for Integrative Genomics
Université de Lausanne
CH1015 Lausanne, Suisse [+]

Polymer Institute of the Slovak Academy of Sciences
Dubravska cesta 3
845 41 Bratislava, Slovak Republic []
tel: +421 2 3229 4321

Florian Weik, Dipl.-Phys.,
Institut für Computerphysik, Allmandring 3, D-70569 Stuttgart
Phone: +49-711-685-67703
Public Key 0x0562F11D Fingerprint 3294 6360 EC93 37A3 BD40  F597 0BAD 3AF8 0562 F11D

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