Re: [ESPResSo-users] requesting help on Espresso

[Florian Weik]

Hi,
If I understand you question correctly you want to compute the coulomb interaction potential between all pairs of charges. I don't think this is a meaningful physical quantity, as the charge always sees all the other charges (and their periodic images).

 It would be sensible to calculate the electrostatic potential at the particle positions, but this is currently not implemented. If you want to do the latter, please let me now I can give you a hint on how to do it.

Regards,

Florian

On Mon, Sep 4, 2017, 3:19 PM parvin shahsavand <address@hidden> wrote:

Hello,
I am Parvin Shahsavandi, a master student of solid state physics. I am using Espresso for my master's thesis project.

In my simulation, I did consider 100 particles, 50 positive particles randomly distributed on a plate and the other 50, this time negative, again randomly distributed in another plate, placed in front of the first plate.(figure 1)

I would like to ask you, "how to compute coulomb energy between energy every single positive and each negative particles?"

I have read manual, I found out how to compute the total energy between positive  and negative particles (test03.tcl) but what i need is the energy for energy single ones.

Thank you.

Sincerely,

Parvin.