APBS  1.5
vopot.c File Reference

Class Vopot methods. More...

#include "vopot.h"
Include dependency graph for vopot.c:

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Macros

#define IJK(i, j, k)   (((k)*(nx)*(ny))+((j)*(nx))+(i))
 

Functions

VPUBLIC VopotVopot_ctor (Vmgrid *mgrid, Vpbe *pbe, Vbcfl bcfl)
 Construct Vopot object with values obtained from Vpmg_readDX (for example) More...
 
VPUBLIC int Vopot_ctor2 (Vopot *thee, Vmgrid *mgrid, Vpbe *pbe, Vbcfl bcfl)
 Initialize Vopot object with values obtained from Vpmg_readDX (for example) More...
 
VPUBLIC void Vopot_dtor (Vopot **thee)
 Object destructor. More...
 
VPUBLIC void Vopot_dtor2 (Vopot *thee)
 FORTRAN stub object destructor. More...
 
VPUBLIC int Vopot_pot (Vopot *thee, double pt[3], double *value)
 Get potential value (from mesh or approximation) at a point. More...
 
VPUBLIC int Vopot_curvature (Vopot *thee, double pt[3], int cflag, double *value)
 Get second derivative values at a point. More...
 
VPUBLIC int Vopot_gradient (Vopot *thee, double pt[3], double grad[3])
 Get first derivative values at a point. More...
 

Detailed Description

Class Vopot methods.

Author
Nathan Baker
Version
$Id$
Attention
*
* APBS -- Adaptive Poisson-Boltzmann Solver
*
*  Nathan A. Baker (nathan.baker@pnnl.gov)
*  Pacific Northwest National Laboratory
*
*  Additional contributing authors listed in the code documentation.
*
* Copyright (c) 2010-2014 Battelle Memorial Institute. Developed at the
* Pacific Northwest National Laboratory, operated by Battelle Memorial
* Institute, Pacific Northwest Division for the U.S. Department of Energy.
*
* Portions Copyright (c) 2002-2010, Washington University in St. Louis.
* Portions Copyright (c) 2002-2010, 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
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Definition in file vopot.c.