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VEXTERNC PBAMparm * | PBAMparm_ctor (PBAMparm_CalcType type) |
| Construct PBAMparm object.
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VEXTERNC Vrc_Codes | PBAMparm_ctor2 (PBAMparm *thee, PBAMparm_CalcType type) |
| FORTRAN stub to construct PBAMparm object ?????????!!!!!!!
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VEXTERNC void | PBAMparm_dtor (PBAMparm **thee) |
| Object destructor.
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VEXTERNC void | PBAMparm_dtor2 (PBAMparm *thee) |
| FORTRAN stub for object destructor ?????????!!!!!!!!!!!!
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VEXTERNC Vrc_Codes | PBAMparm_check (PBAMparm *thee) |
| Consistency check for parameter values stored in object.
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VEXTERNC Vrc_Codes | PBAMparm_parseToken (PBAMparm *thee, char tok[VMAX_BUFSIZE], Vio *sock) |
| Parse an MG keyword from an input file.
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VEXTERNC void | PBAMparm_copy (PBAMparm *thee, PBAMparm *parm) |
| copy PBAMparm object int thee.
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VPRIVATE Vrc_Codes | PBAMparm_parseSalt (PBAMparm *thee, Vio *sock) |
| Find salt conc and save it as a structure variable.
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VPRIVATE Vrc_Codes | PBAMparm_parseRunType (PBAMparm *thee, Vio *sock) |
| Find runType and save it as a structure variable.
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VPRIVATE Vrc_Codes | PBAMparm_parseRunName (PBAMparm *thee, Vio *sock) |
| Find runName and save it as a structure variable.
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VPRIVATE Vrc_Codes | PBAMparm_parseRandorient (PBAMparm *thee, Vio *sock) |
| Find randomorientation flag and save it as a boolean.
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VPRIVATE Vrc_Codes | PBAMparm_parsePBCS (PBAMparm *thee, Vio *sock) |
| Find PBC flag and save the type and the boxlength.
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VPRIVATE Vrc_Codes | PBAMparm_parseUnits (PBAMparm *thee, Vio *sock) |
| Find units flag and save units.
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VPRIVATE Vrc_Codes | PBAMparm_parse3Dmap (PBAMparm *thee, Vio *sock) |
| Find 3D map filename and save it.
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VPRIVATE Vrc_Codes | PBAMparm_parseGrid2D (PBAMparm *thee, Vio *sock) |
| Find 2D grid filename and save it.
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VPRIVATE Vrc_Codes | PBAMparm_parseDX (PBAMparm *thee, Vio *sock) |
| Find DX filename and save it.
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VPRIVATE Vrc_Codes | PBAMparm_parseGridPts (PBAMparm *thee, Vio *sock) |
| Find Grid points and save them.
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VPRIVATE Vrc_Codes | PBAMparm_parseTermcombine (PBAMparm *thee, Vio *sock) |
| Find Termination logic and save it.
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VPRIVATE Vrc_Codes | PBAMparm_parseDiff (PBAMparm *thee, Vio *sock) |
| Find diffusion coeffs for each molecule and save them.
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VPRIVATE Vrc_Codes | PBAMparm_parseXYZ (PBAMparm *thee, Vio *sock) |
| Find xyz files for each molecule for each traj and save them.
|
|
Contains declarations for class PBAMparm.
- Version
- $Id$
- Author
- Lisa Felberg
- 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) 2002-2010, 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
* 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 pbamparm.h.