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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 (X11/20101027)

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);

Have a nice day.

Best Regards,
Muhammad Anwar

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