#include <math.h>
#include <stdlib.h>
#include <stdio.h>
#include <string.h>
#include <errno.h>
#include <tcl.h>
#include "VMDApp.h"
#include "MoleculeList.h"
#include "Molecule.h"
#include "Timestep.h"
#include "Measure.h"
#include "SpatialSearch.h"
#include "VolCPotential.h"
#include "VolumetricData.h"
#include "VolMapCreate.h"
#include "utilities.h"
#include "ResizeArray.h"
#include "Inform.h"
#include "WKFUtils.h"
#include "TclCommands.h"
#include "msmpot.h"
Go to the source code of this file.
Defines | |
#define | POT_CONV 560.47254 |
#define | MIN(X, Y) (((X)<(Y))? (X) : (Y)) |
#define | MAX(X, Y) (((X)>(Y))? (X) : (Y)) |
Functions | |
int | volmap_write_dx_file (VolumetricData *volmap, const char *filename) |
Variables | |
const float | MAX_ENERGY = 150.f |
maximum energy (above which all energies are considered infinite, for performance purposes of the Energy/PMF map type). More... |
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Definition at line 66 of file VolMapCreate.C. |
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Definition at line 65 of file VolMapCreate.C. |
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Definition at line 63 of file VolMapCreate.C. Referenced by VolMapCreateCoulombPotentialMSM::compute_frame, and VolMapCreateCoulombPotential::compute_frame. |
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Definition at line 1241 of file VolMapCreate.C. References VolumetricData::cell_axes, VolumetricData::data, VolumetricData::name, VolumetricData::origin, volmap, VolumetricData::voxel_value, VolumetricData::xsize, VolumetricData::ysize, and VolumetricData::zsize. |
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maximum energy (above which all energies are considered infinite, for performance purposes of the Energy/PMF map type).
Definition at line 70 of file VolMapCreate.C. Referenced by VolMapCreate::combo_export. |