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Re: [ESPResSo-users] Is tabular non_bounded_interaction potential availa
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From: |
Rudolf Weeber |
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Subject: |
Re: [ESPResSo-users] Is tabular non_bounded_interaction potential available in pyspresso? |
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Date: |
Tue, 12 Jul 2016 15:56:52 +0200 |
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User-agent: |
Mutt/1.5.24 (2015-08-30) |
Hi David,
On Tue, Jul 12, 2016 at 02:40:54PM +0100, David Power wrote:
> Using the TCL interface I am able to set a non bounded tabular potential
> between beads of different types e.g. inter 0 1 tabulated <file> . Is there
> a way to do this in python? I can only see lennard_jones type non bounded
> potentials in the examples/docs (the potential I would like to use doesn't
> conform to LJ). I see a bounded tabular potential in the code, is there an
> unbounded implementation of this?
The nonbonded tabulated potential does not have a python interface yet.
However, it should come soon.
Regards, Rudolf