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VPUBLIC double | PBEparm_getIonCharge (PBEparm *thee, int i) |
| Get charge (e) of specified ion species.
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VPUBLIC double | PBEparm_getIonConc (PBEparm *thee, int i) |
| Get concentration (M) of specified ion species.
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VPUBLIC double | PBEparm_getIonRadius (PBEparm *thee, int i) |
| Get radius (A) of specified ion species.
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VPUBLIC double | PBEparm_getzmem (PBEparm *thee) |
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VPUBLIC double | PBEparm_getLmem (PBEparm *thee) |
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VPUBLIC double | PBEparm_getmembraneDiel (PBEparm *thee) |
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VPUBLIC double | PBEparm_getmemv (PBEparm *thee) |
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VPUBLIC PBEparm * | PBEparm_ctor () |
| Construct PBEparm object.
|
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VPUBLIC int | PBEparm_ctor2 (PBEparm *thee) |
| FORTRAN stub to construct PBEparm object.
|
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VPUBLIC void | PBEparm_dtor (PBEparm **thee) |
| Object destructor.
|
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VPUBLIC void | PBEparm_dtor2 (PBEparm *thee) |
| FORTRAN stub for object destructor.
|
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VPUBLIC int | PBEparm_check (PBEparm *thee) |
| Consistency check for parameter values stored in object.
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VPUBLIC void | PBEparm_copy (PBEparm *thee, PBEparm *parm) |
| Copy PBEparm object into thee.
|
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VPRIVATE int | PBEparm_parseLPBE (PBEparm *thee, Vio *sock) |
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VPRIVATE int | PBEparm_parseNPBE (PBEparm *thee, Vio *sock) |
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VPRIVATE int | PBEparm_parseMOL (PBEparm *thee, Vio *sock) |
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VPRIVATE int | PBEparm_parseLRPBE (PBEparm *thee, Vio *sock) |
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VPRIVATE int | PBEparm_parseNRPBE (PBEparm *thee, Vio *sock) |
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VPRIVATE int | PBEparm_parseSMPBE (PBEparm *thee, Vio *sock) |
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VPRIVATE int | PBEparm_parseBCFL (PBEparm *thee, Vio *sock) |
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VPRIVATE int | PBEparm_parseION (PBEparm *thee, Vio *sock) |
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VPRIVATE int | PBEparm_parsePDIE (PBEparm *thee, Vio *sock) |
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VPRIVATE int | PBEparm_parseSDENS (PBEparm *thee, Vio *sock) |
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VPRIVATE int | PBEparm_parseSDIE (PBEparm *thee, Vio *sock) |
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VPRIVATE int | PBEparm_parseSRFM (PBEparm *thee, Vio *sock) |
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VPRIVATE int | PBEparm_parseSRAD (PBEparm *thee, Vio *sock) |
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VPRIVATE int | PBEparm_parseSWIN (PBEparm *thee, Vio *sock) |
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VPRIVATE int | PBEparm_parseTEMP (PBEparm *thee, Vio *sock) |
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VPRIVATE int | PBEparm_parseUSEMAP (PBEparm *thee, Vio *sock) |
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VPRIVATE int | PBEparm_parseCALCENERGY (PBEparm *thee, Vio *sock) |
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VPRIVATE int | PBEparm_parseCALCFORCE (PBEparm *thee, Vio *sock) |
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VPRIVATE int | PBEparm_parseZMEM (PBEparm *thee, Vio *sock) |
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VPRIVATE int | PBEparm_parseLMEM (PBEparm *thee, Vio *sock) |
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VPRIVATE int | PBEparm_parseMDIE (PBEparm *thee, Vio *sock) |
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VPRIVATE int | PBEparm_parseMEMV (PBEparm *thee, Vio *sock) |
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VPRIVATE int | PBEparm_parseWRITE (PBEparm *thee, Vio *sock) |
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VPRIVATE int | PBEparm_parseWRITEMAT (PBEparm *thee, Vio *sock) |
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VPUBLIC int | PBEparm_parseToken (PBEparm *thee, char tok[VMAX_BUFSIZE], Vio *sock) |
| Parse a keyword from an input file.
|
|
Class PBEparm 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) 2010-2020 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) 2002-2020, 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 the developer 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.
*
*
Definition in file pbeparm.c.