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<h1>vgreen.c File Reference</h1>Class Vgreen methods.
<a href="#_details">More...</a>
<p>
<code>#include "apbscfg.h"</code><br>
<code>#include "<a class="el" href="vgreen_8h-source.html">apbs/vgreen.h</a>"</code><br>
<p>
<div class="dynheader">
Include dependency graph for vgreen.c:</div>
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<p><center><img src="vgreen_8c__incl.png" border="0" usemap="#vgreen.c_map" alt=""></center>
<map name="vgreen.c_map">
<area shape="rect" href="vgreen_8h.html" title="Contains declarations for class Vgreen." alt="" coords="202,82,309,109"><area shape="rect" href="vhal_8h.html" title="Contains generic macro definitions for APBS." alt="" coords="77,381,168,408"><area shape="rect" href="vunit_8h.html" title="Contains a collection of useful constants and conversion factors." alt="" coords="442,306,538,333"><area shape="rect" href="vatom_8h.html" title="Contains declarations for class Vatom." alt="" coords="58,232,160,258"><area shape="rect" href="valist_8h.html" title="Contains declarations for class Valist." alt="" coords="208,157,304,184"><area shape="rect" href="vparam_8h.html" title="Contains declarations for class Vparam." alt="" coords="260,232,369,258"><area shape="rect" href="vstring_8h.html" title="Contains declarations for class Vstring." alt="" coords="261,306,368,333"></map>
</div>
<table border="0" cellpadding="0" cellspacing="0">
<tr><td></td></tr>
<tr><td colspan="2"><br><h2>Functions</h2></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">VPUBLIC <a class="el" href="structsValist.html">Valist</a> * </td><td class="memItemRight" valign="bottom"><a class="el" href="group__Vgreen.html#gf911cbf4273d6ccc22bb6eb9e739b52c">Vgreen_getValist</a> (<a class="el" href="structsVgreen.html">Vgreen</a> *thee)</td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Get the atom list associated with this Green's function object. <a href="group__Vgreen.html#gf911cbf4273d6ccc22bb6eb9e739b52c"></a><br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">VPUBLIC unsigned long int </td><td class="memItemRight" valign="bottom"><a class="el" href="group__Vgreen.html#gca0f7eb0cdbb2782f1181b2a15d4ff40">Vgreen_memChk</a> (<a class="el" href="structsVgreen.html">Vgreen</a> *thee)</td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Return the memory used by this structure (and its contents) in bytes. <a href="group__Vgreen.html#gca0f7eb0cdbb2782f1181b2a15d4ff40"></a><br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">VPUBLIC <a class="el" href="structsVgreen.html">Vgreen</a> * </td><td class="memItemRight" valign="bottom"><a class="el" href="group__Vgreen.html#g40625a240b34a5eddec5d98925aa3061">Vgreen_ctor</a> (<a class="el" href="structsValist.html">Valist</a> *alist)</td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Construct the Green's function oracle. <a href="group__Vgreen.html#g40625a240b34a5eddec5d98925aa3061"></a><br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">VPUBLIC int </td><td class="memItemRight" valign="bottom"><a class="el" href="group__Vgreen.html#gbf630ca7658e483fc8e58ee3e0353d44">Vgreen_ctor2</a> (<a class="el" href="structsVgreen.html">Vgreen</a> *thee, <a class="el" href="structsValist.html">Valist</a> *alist)</td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">FORTRAN stub to construct the Green's function oracle. <a href="group__Vgreen.html#gbf630ca7658e483fc8e58ee3e0353d44"></a><br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">VPUBLIC void </td><td class="memItemRight" valign="bottom"><a class="el" href="group__Vgreen.html#gc60c5788fc669e5f7b48502bcecfb174">Vgreen_dtor</a> (<a class="el" href="structsVgreen.html">Vgreen</a> **thee)</td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Destruct the Green's function oracle. <a href="group__Vgreen.html#gc60c5788fc669e5f7b48502bcecfb174"></a><br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">VPUBLIC void </td><td class="memItemRight" valign="bottom"><a class="el" href="group__Vgreen.html#gb6dced702dabd03e72f9a46ee540f94e">Vgreen_dtor2</a> (<a class="el" href="structsVgreen.html">Vgreen</a> *thee)</td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">FORTRAN stub to destruct the Green's function oracle. <a href="group__Vgreen.html#gb6dced702dabd03e72f9a46ee540f94e"></a><br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">VPUBLIC int </td><td class="memItemRight" valign="bottom"><a class="el" href="group__Vgreen.html#g3b0f7daccd9e02d5c7592205a7f91851">Vgreen_helmholtz</a> (<a class="el" href="structsVgreen.html">Vgreen</a> *thee, int npos, double *x, double *y, double *z, double *val, double kappa)</td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Get the Green's function for Helmholtz's equation integrated over the atomic point charges. <a href="group__Vgreen.html#g3b0f7daccd9e02d5c7592205a7f91851"></a><br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">VPUBLIC int </td><td class="memItemRight" valign="bottom"><a class="el" href="group__Vgreen.html#g70350504a1b4fa93a29857186631b5eb">Vgreen_helmholtzD</a> (<a class="el" href="structsVgreen.html">Vgreen</a> *thee, int npos, double *x, double *y, double *z, double *gradx, double *grady, double *gradz, double kappa)</td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Get the gradient of Green's function for Helmholtz's equation integrated over the atomic point charges. <a href="group__Vgreen.html#g70350504a1b4fa93a29857186631b5eb"></a><br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">VPUBLIC int </td><td class="memItemRight" valign="bottom"><a class="el" href="group__Vgreen.html#g3ea8951ccd334f1086718712adb0008a">Vgreen_coulomb_direct</a> (<a class="el" href="structsVgreen.html">Vgreen</a> *thee, int npos, double *x, double *y, double *z, double *val)</td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Get the Coulomb's Law Green's function (solution to Laplace's equation) integrated over the atomic point charges using direct summation. <a href="group__Vgreen.html#g3ea8951ccd334f1086718712adb0008a"></a><br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">VPUBLIC int </td><td class="memItemRight" valign="bottom"><a class="el" href="group__Vgreen.html#g38210357a3f6e6547449bb50051878d3">Vgreen_coulomb</a> (<a class="el" href="structsVgreen.html">Vgreen</a> *thee, int npos, double *x, double *y, double *z, double *val)</td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Get the Coulomb's Law Green's function (solution to Laplace's equation) integrated over the atomic point charges using direct summation or H. E. Johnston, R. Krasny FMM library (if available). <a href="group__Vgreen.html#g38210357a3f6e6547449bb50051878d3"></a><br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">VPUBLIC int </td><td class="memItemRight" valign="bottom"><a class="el" href="group__Vgreen.html#g6d99844c1b1b64d00d4191e46f99ca57">Vgreen_coulombD_direct</a> (<a class="el" href="structsVgreen.html">Vgreen</a> *thee, int npos, double *x, double *y, double *z, double *pot, double *gradx, double *grady, double *gradz)</td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Get gradient of the Coulomb's Law Green's function (solution to Laplace's equation) integrated over the atomic point charges using direct summation. <a href="group__Vgreen.html#g6d99844c1b1b64d00d4191e46f99ca57"></a><br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">VPUBLIC int </td><td class="memItemRight" valign="bottom"><a class="el" href="group__Vgreen.html#g938510e750403bdca18810e0599d6692">Vgreen_coulombD</a> (<a class="el" href="structsVgreen.html">Vgreen</a> *thee, int npos, double *x, double *y, double *z, double *pot, double *gradx, double *grady, double *gradz)</td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Get gradient of the Coulomb's Law Green's function (solution to Laplace's equation) integrated over the atomic point charges using either direct summation or H. E. Johnston/R. Krasny FMM library (if available). <a href="group__Vgreen.html#g938510e750403bdca18810e0599d6692"></a><br></td></tr>
</table>
<hr><a name="_details"></a><h2>Detailed Description</h2>
Class Vgreen methods.
<p>
<dl class="author" compact><dt><b>Author:</b></dt><dd>Nathan Baker </dd></dl>
<dl class="version" compact><dt><b>Version:</b></dt><dd></dd></dl>
<dl class="rcs" compact><dt><b>Id</b></dt><dd><a class="el" href="vgreen_8c.html" title="Class Vgreen methods.">vgreen.c</a> 1350 2009-02-12 00:38:48Z yhuang01 </dd></dl>
<dl class="attention" compact><dt><b>Attention:</b></dt><dd><div class="fragment"><pre class="fragment">
*
* 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.
*
* </pre></div> </dd></dl>
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