Re: [ESPResSo-users] underhood help

[Florian Weik]

Hi,

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Unfortunately it is horribly outdated, but the sections about implementing a bonded or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

advice.

Cheers,

Florian

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

Hi,

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,

Dusan

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Faculté de biologie et de médecine

Center for Integrative Genomics

GENOPODE UNIL-SORGE

Université de Lausanne

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RG: https://www.researchgate.net/profile/Dusan_Racko

Scholar: https://goo.gl/oRVrGV

Polymer Institute of the Slovak Academy of Sciences

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845 41 Bratislava, Slovak Republic [‡]

tel: +421 2 3229 4321

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Florian Weik, Dipl.-Phys.,
Institut für Computerphysik, Allmandring 3, D-70569 Stuttgart
Phone: +49-711-685-67703

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