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Re: [ESPResSo] Implementation of full DPD algorithm in Espresso ?
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From: |
Stefan Kesselheim |
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Subject: |
Re: [ESPResSo] Implementation of full DPD algorithm in Espresso ? |
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Date: |
Mon, 29 Mar 2010 11:07:00 +0200 |
Hello everybody,
Am 29.03.2010 um 10:45 schrieb Christoph Junghans:
> Am 27.03.2010 16:18, schrieb Marek Maly:
>> The soft conservative DPD force/potential is unfortunately not
>> implemented. Am I right ?
> You are right. I thought about implementing it one day...
Then what is the inter_dpd featuer? In dpd.h there is a function
add_interdpd_pair_force(p1, p2, ...) in #ifdef INTER_DPD.
The source code looks as if it was indeed the thermostat implementation, but
what is then add_dpd_thermo_pair_force(...)?
Cheers
Stefan