Re: [ESPResSo-users] Question about LANGEVIN_PER_PARTICLE implementation

[Florian Weik]

Hi,

this wasn't implemented so far. I added that just now with commit 960f5e3bcc5c1a7177c02607d674dd862fdaa981.

I'm not terrible sure about the blockfile stuff, I'd appreciate some feedback on that.

Cheers, 

Florian

On Mon, Dec 8, 2014 at 6:23 PM, Hender Lopez <address@hidden> wrote:

Dear all,

Is there a way I can check the value of gamma and T for each particle
when  LANGEVIN_PER_PARTICLE is activated? I complied espresso with
LANGEVIN_PER_PARTICLE  activated and defining the gamma property seems
to work. But if  I tried  to check the values of gamma and temp by
using [part] neither the gamma nor the T property appears. I tried
[part id print gamma] for a particular particle id and I get the
message: unknown particle data "gamma" requested (same if I try to
print the temp). I also tried saving gamma in a blockfile and I get a
error message.

Thanks in advance for the help.

Best,

Hender

--

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

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