<html><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; ">The only reference that comes to my mind is the Jackson:<div><br></div><div><a href="http://www.amazon.com/Classical-Electrodynamics-Third-David-Jackson/dp/047130932X">http://www.amazon.com/Classical-Electrodynamics-Third-David-Jackson/dp/047130932X</a></div><div><br></div><div>What I implemented is a basic (very basic) charge+spherical conductor cavity.</div><div>Regards,</div><div>Teo</div><div><br></div><div><div><div>On 3 Sep 2010, at 05:26, Hanning Chen wrote:</div><br class="Apple-interchange-newline"><blockquote type="cite">Hi, Teo,<div><br></div><div> Could you send me the reference that describes the solvation model you implemented in CP2K? It seems that you decompose the charges into spherical multipoles since I found the following codes in cp_ddapc_methods.f</div> <div><br></div><div> IF (r1/=0.0_dp) THEN</div><div> DO l = 0, lmax</div><div> LocP(l,i) = ( r1**l * REAL(l+1,KIND=dp) * (eps_in-eps_out))/&</div><div> (Rs**(2*l+1)*eps_in*(REAL(l,KIND=dp)*eps_in+REAL(l+1,KIND=dp)*eps_out))</div> <div> END DO</div><div> ELSE</div><div> ! limit for r->0</div><div> LocP(0,i) = (eps_in-eps_out)/(Rs*eps_in*eps_out)</div><div> END IF</div><div><br></div><div>I am trying to implement a PCM model in CP2K, and have to learn the coding structures. </div> <div>Thanks.</div><div><br></div><div>Hanning</div><div><br></div><div> <br><br><div class="gmail_quote">On Thu, Sep 2, 2010 at 4:51 PM, Laino Teodoro <span dir="ltr"><<a href="mailto:teodor...@gmail.com">teodor...@gmail.com</a>></span> wrote:<br> <blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;">Bloch's paper provides only a way to compute charges from an electronic density (Density Derived Atomic Point Charges) -<br> you can use those charges within any standard electrodynamic model (cavity of any shape).<br> <br> Teo<div><div></div><div class="h5"><br> <br> On 2 Sep 2010, at 23:47, Hanning Chen wrote:<br> <br> </div></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div><div></div><div class="h5"> Hi, CP2K developers,<br> <br> Is it possible to implement an implicit solvent model for an ellipsoid solute cavity in CP2K? After reading Blochl's paper, it seems to me that a spherical cavity is not required. Is not it?<br> <br> Thanks.<br> <br> Hanning<br> <br> <br></div></div> -- <br> You received this message because you are subscribed to the Google Groups "cp2k" group.<br> To post to this group, send email to <a href="mailto:cp...@googlegroups.com" target="_blank">cp...@googlegroups.com</a>.<br> To unsubscribe from this group, send email to <a href="mailto:cp2k%2Bun...@googlegroups.com" target="_blank">cp2k+uns...@googlegroups.com</a>.<br> For more options, visit this group at <a href="http://groups.google.com/group/cp2k?hl=en" target="_blank">http://groups.google.com/group/cp2k?hl=en</a>.<br> </blockquote> <br> -- <br> You received this message because you are subscribed to the Google Groups "cp2k" group.<br> To post to this group, send email to <a href="mailto:cp...@googlegroups.com" target="_blank">cp...@googlegroups.com</a>.<br> To unsubscribe from this group, send email to <a href="mailto:cp2k%2Bun...@googlegroups.com" target="_blank">cp2k+uns...@googlegroups.com</a>.<br> For more options, visit this group at <a href="http://groups.google.com/group/cp2k?hl=en" target="_blank">http://groups.google.com/group/cp2k?hl=en</a>.<br> <br> </blockquote></div><br></div><div><br class="webkit-block-placeholder"></div> -- <br> You received this message because you are subscribed to the Google Groups "cp2k" group.<br> To post to this group, send email to <a href="mailto:cp...@googlegroups.com">cp...@googlegroups.com</a>.<br> To unsubscribe from this group, send email to <a href="mailto:cp2k+uns...@googlegroups.com">cp2k+uns...@googlegroups.com</a>.<br> For more options, visit this group at <a href="http://groups.google.com/group/cp2k?hl=en">http://groups.google.com/group/cp2k?hl=en</a>.<br> </blockquote></div><br></div></body></html>