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Re: [ESPResSo-users] Printing out velocity
From: |
Sreekumari Aparna |
Subject: |
Re: [ESPResSo-users] Printing out velocity |
Date: |
Thu, 11 Aug 2011 10:57:11 +0000 |
Thank you Peter for explaining me, I have actually done the similar process, I
am writing it here.
for {set i 0} { $i < $n_part } {incr i} {
set posx [expr $box_l*[t_random]]
set posy [expr $box_l*[t_random]]
set posz [expr $box_l*[t_random]]
part $i pos $posx $posy $posz type 0
part 0 dip 1 0 0 dipm 1.0 type 0
}
for {set i 0} { $i < $n_part } {incr i} {
part $i print v omega ------------------------------------------------> I
gave $i for getting all particles velocity. I tried it with one particle also.
But I am not able to see the values it is outputting.
}
>From the manual i found that i can use variant(2) to get the properties of all
>the particles. I tried it with out specifying the pid, but from the error
>message i got that pid is essential. So only i thought to write the way i
>mentioned above.
Regards,
Aparna
________________________________________
From: Peter Kosovan address@hidden
Sent: Thursday, August 11, 2011 12:25 PM
To: Sreekumari Aparna
Cc: address@hidden
Subject: Re: [ESPResSo-users] Printing out velocity
Hi Aparna
to print the particle velocities, use the part command. E.g. if you want to
print velocity and angular velocity of particle 3, call
part 3 print v omega
Part command is abolutely essential and can do a lot of things, so I would
recommend to read section 4 of the manual in detail.
You have to print v before you start the integration. Velocities are not
initialized automatically but if you are using a thermostat, random forces and
friction bring them to the correct distribution after a few integration steps.
peter
--
Peter Košovan
Institute of Computational Physics
University of Stuttgart
Pfaffenwaldring 27
70569 Stuttgart
Germany
On Thu, 11 Aug 2011, Sreekumari Aparna wrote:
> Hello all,
>
> To do the dipole simulation, I have initialised coordinates and dipolemoment
> orientation of dipoles and set the temperature and thermostat. I did not
> initialise velocities by hand. But from the simulation results i found that
> its taking the correct velocities, I would like to print the initial linear
> and angular velocities. I have searched in User's guide, i don't know whether
> its due to my mistake, i could not find it. Can anybody help?
>
> Regards,
> Aparna