Class Vmgrid methods. More...
#include "apbscfg.h"
#include "apbs/vmgrid.h"
Functions | |
VPUBLIC Vmgrid * | Vmgrid_ctor () |
Construct Vmgrid object. | |
VPUBLIC int | Vmgrid_ctor2 (Vmgrid *thee) |
Initialize Vmgrid object. | |
VPUBLIC void | Vmgrid_dtor (Vmgrid **thee) |
Object destructor. | |
VPUBLIC void | Vmgrid_dtor2 (Vmgrid *thee) |
FORTRAN stub object destructor. | |
VPUBLIC int | Vmgrid_value (Vmgrid *thee, double pt[3], double *value) |
Get potential value (from mesh or approximation) at a point. | |
VPUBLIC int | Vmgrid_curvature (Vmgrid *thee, double pt[3], int cflag, double *value) |
Get second derivative values at a point. | |
VPUBLIC int | Vmgrid_gradient (Vmgrid *thee, double pt[3], double grad[3]) |
Get first derivative values at a point. | |
VPUBLIC int | Vmgrid_addGrid (Vmgrid *thee, Vgrid *grid) |
Add a grid to the hierarchy. |
Class Vmgrid methods.
* * APBS -- Adaptive Poisson-Boltzmann Solver * * Nathan A. Baker (baker@biochem.wustl.edu) * Dept. of Biochemistry and Molecular Biophysics * Center for Computational Biology * Washington University in St. Louis * * Additional contributing authors listed in the code documentation. * * Copyright (c) 2002-2009, Washington University in St. Louis. * Portions Copyright (c) 2002-2009. Nathan A. Baker * Portions Copyright (c) 1999-2002. The Regents of the University of California. * Portions Copyright (c) 1995. Michael Holst * * All rights reserved. * * Redistribution and use in source and binary forms, with or without * modification, are permitted provided that the following conditions are met: * * - Redistributions of source code must retain the above copyright notice, this * list of conditions and the following disclaimer. * * - Redistributions in binary form must reproduce the above copyright notice, * this list of conditions and the following disclaimer in the documentation * and/or other materials provided with the distribution. * * - Neither the name of Washington University in St. Louis nor the names of its * contributors may be used to endorse or promote products derived from this * software without specific prior written permission. * * THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS * "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT * LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR * A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR * CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, * EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, * PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR * PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF * LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING * NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS * SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. * *