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[ESPResSo-users] Cossquare Bond Angle
From: |
Muhammad Anwar |
Subject: |
[ESPResSo-users] Cossquare Bond Angle |
Date: |
Wed, 30 Mar 2011 09:08:18 +0200 |
User-agent: |
Thunderbird 2.0.0.24 (X11/20101027) |
Hello,
Dear Olaf Lenz,
Thank you very much for your guide line. I have written code for force
calculation of cossquare angle potential and i think it should be added
to line where this line is written"/*fprintf(stderr, "WARNING:
calc_angle_3body_forces not implemented for cossquare potential, cannot
calculate stress tensor");*/". It is line number 207 not 218 as you
said yesterday please see this, i am also sending you the code which i
have written. Please check this so i can proceed further.
{
double K, cos_phi0;
K = iaparams->p.angle.bend;
cos_phi0 = iaparams->p.angle.cos_phi0;
// potential dependent term [dU/dphi = K * (sin_phi * cos_phi0 -
cos_phi * sin_phi)]
pot_dep = K * (sin_phi * cos_phi0 - cos_phi * sin_phi);
}
Thanks
Have a nice day.
Best Regards,
Muhammad Anwar