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VEXTERNC unsigned long int | Vgrid_memChk (Vgrid *thee) |
| Return the memory used by this structure (and its contents) in bytes. More...
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VEXTERNC Vgrid * | Vgrid_ctor (int nx, int ny, int nz, double hx, double hy, double hzed, double xmin, double ymin, double zmin, double *data) |
| Construct Vgrid object with values obtained from Vpmg_readDX (for example) More...
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VEXTERNC int | Vgrid_ctor2 (Vgrid *thee, int nx, int ny, int nz, double hx, double hy, double hzed, double xmin, double ymin, double zmin, double *data) |
| Initialize Vgrid object with values obtained from Vpmg_readDX (for example) More...
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VEXTERNC int | Vgrid_value (Vgrid *thee, double x[3], double *value) |
| Get potential value (from mesh or approximation) at a point. More...
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VEXTERNC void | Vgrid_dtor (Vgrid **thee) |
| Object destructor. More...
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VEXTERNC void | Vgrid_dtor2 (Vgrid *thee) |
| FORTRAN stub object destructor. More...
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VEXTERNC int | Vgrid_curvature (Vgrid *thee, double pt[3], int cflag, double *curv) |
| Get second derivative values at a point. More...
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VEXTERNC int | Vgrid_gradient (Vgrid *thee, double pt[3], double grad[3]) |
| Get first derivative values at a point. More...
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VEXTERNC int | Vgrid_readGZ (Vgrid *thee, const char *fname) |
| Read in OpenDX data in GZIP format. More...
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VEXTERNC void | Vgrid_writeGZ (Vgrid *thee, const char *iodev, const char *iofmt, const char *thost, const char *fname, char *title, double *pvec) |
| Write out OpenDX data in GZIP format. More...
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VEXTERNC void | Vgrid_writeUHBD (Vgrid *thee, const char *iodev, const char *iofmt, const char *thost, const char *fname, char *title, double *pvec) |
| Write out the data in UHBD grid format. More...
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VEXTERNC void | Vgrid_writeDX (Vgrid *thee, const char *iodev, const char *iofmt, const char *thost, const char *fname, char *title, double *pvec) |
| Write out the data in OpenDX grid format. More...
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VEXTERNC int | Vgrid_readDX (Vgrid *thee, const char *iodev, const char *iofmt, const char *thost, const char *fname) |
| Read in data in OpenDX grid format. More...
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VEXTERNC void | Vgrid_writeDXBIN (Vgrid *thee, const char *iodev, const char *iofmt, const char *thost, const char *fname, char *title, double *pvec) |
| Write out the binary data in OpenDX grid format. More...
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VEXTERNC int | Vgrid_readDXBIN (Vgrid *thee, const char *iodev, const char *iofmt, const char *thost, const char *fname) |
| Read in binary data in OpenDX grid format. More...
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VEXTERNC double | Vgrid_integrate (Vgrid *thee) |
| Get the integral of the data. More...
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VEXTERNC double | Vgrid_normL1 (Vgrid *thee) |
| Get the norm of the data. This returns the integral: More...
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VEXTERNC double | Vgrid_normL2 (Vgrid *thee) |
| Get the norm of the data. This returns the integral: More...
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VEXTERNC double | Vgrid_normLinf (Vgrid *thee) |
| Get the norm of the data. This returns the integral: More...
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VEXTERNC double | Vgrid_seminormH1 (Vgrid *thee) |
| Get the semi-norm of the data. This returns the integral: More...
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VEXTERNC double | Vgrid_normH1 (Vgrid *thee) |
| Get the norm (or energy norm) of the data. This returns the integral: More...
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Potential oracle for Cartesian mesh data.
- Author
- Nathan Baker and Steve Bond
- 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) 2002-2010, 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 vgrid.h.