## apbs-users

 [Apbs-users] Newmann Boundary conditions From: gulzar - 2003-01-29 22:43:41 ```Hi, I am looking to solve a system which requires Newmann boundary conditions (perpendicular field = 0) at the boundary planes and not the usual Dirichlet Boundary conditions. Is there some way this can be done with apbs as it is right now. I did a grep and the arrays (gxcf(i,j,2) and gxcf(i,j,3)) are supposedly used for storing newmann values but could not find anything further than that. In case newmann boundary conditions are not implemented, this can be a good small project in itself. Any help is appreciated. Gulzar Kathawala Graduate Assisstant, University of Illinois. ```
 Re: [Apbs-users] Newmann Boundary conditions From: Nathan A. Baker - 2003-01-30 00:57:19 Attachments: application/pgp-signature ```Hi Gulzar -- You're right; you need to fill the arrays as follows: gxcf(j,k,2) =3D solution gradient on lower x face gxcf(j,k,3) =3D solution gradient on upper x face gycf(i,k,2) =3D solution gradient on lower y face gycf(i,k,3) =3D solution gradient on upper y face gzcf(j,k,2) =3D solution gradient on lower z face gzcf(j,k,3) =3D solution gradient on upper z face The most natural place to do this is by adding your own value for bcfl to the Vpmgp structure (in apbs/src/mg/apbs/vpmgp.h) and modifying the (private) function bcCalc in apbs/src/mg/vpmg-setup.c accordingly. Let me know if you have any further questions. -- Nathan gulzar (01-29-2003 14:25:06-0600): >Hi, > I am looking to solve a system which requires Newmann boundary conditions= =20 >(perpendicular field =3D 0) at the boundary planes and not the usual Diric= hlet=20 >Boundary conditions. Is there some way this can be done with apbs as it is= =20 >right now. I did a grep and the arrays (gxcf(i,j,2) and gxcf(i,j,3)) are= =20 >supposedly used for storing newmann values but could not find anything=20 >further than that. In case newmann boundary conditions are not implemented= ,=20 >this can be a good small project in itself. > > Any help is appreciated. > >Gulzar Kathawala >Graduate Assisstant, >University of Illinois. >_______________________________________________ >apbs-users mailing list >apbs-users@... >http://cholla.wustl.edu/mailman/listinfo/apbs-users End of message from gulzar. --=20 Nathan A. Baker, Assistant Professor Washington University in St. Louis School of Medicine Dept. of Biochemistry and Molecular Biophysics Center for Computational Biology 700 S. Euclid Ave., Campus Box 8036, St. Louis, MO 63110 Phone: (314) 362-2040, Fax: (314) 362-0234 URL: http://www.biochem.wustl.edu/~baker ```