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root/OpenMD/trunk/src/applications/hydrodynamics/ApproximationModel.cpp

Comparing trunk/src/applications/hydrodynamics/ApproximationModel.cpp (file contents):
Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 UTC vs.
Revision 1782 by gezelter, Wed Aug 22 02:28:28 2012 UTC

#	Line 36 | Line 36
36		* [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).
37		* [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).
38		* [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).
39	<	* [4]  Vardeman & Gezelter, in progress (2009).
39	>	* [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
40	>	* [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
41		*/
42
43		#include "applications/hydrodynamics/ApproximationModel.hpp"
#	Line 83 | Line 84 | namespace OpenMD {
84
85		bool ApproximationModel::calcHydroPropsAtCR(std::vector<BeadParam>& beads, RealType viscosity, RealType temperature, HydroProp* cr) {
86
87	<	int nbeads = beads.size();
87	>	unsigned int nbeads = beads.size();
88		DynamicRectMatrix<RealType> B(3*nbeads, 3*nbeads);
89		DynamicRectMatrix<RealType> C(3*nbeads, 3*nbeads);
90		Mat3x3d I;
#	Line 120 | Line 121 | namespace OpenMD {
121
122		//prepare U Matrix relative to arbitrary origin O(0.0, 0.0, 0.0)
123		std::vector<Mat3x3d> U;
124	<	for (int i = 0; i < nbeads; ++i) {
124	>	for (unsigned int i = 0; i < nbeads; ++i) {
125		Mat3x3d currU;
126		currU.setupSkewMat(beads[i].pos);
127		U.push_back(currU);
#	Line 151 | Line 152 | namespace OpenMD {
152		}
153
154		// add the volume correction
155	<	Xiorr += (6.0 * viscosity * volume) * I;
155	>	Xiorr += (RealType(6.0) * viscosity * volume) * I;
156
157		Xiott *= PhysicalConstants::viscoConvert;
158		Xiotr *= PhysicalConstants::viscoConvert;
#	Line 256 | Line 257 | namespace OpenMD {
257
258		bool ApproximationModel::calcHydroPropsAtCD(std::vector<BeadParam>& beads, RealType viscosity, RealType temperature, HydroProp* cd) {
259
260	<	int nbeads = beads.size();
260	>	unsigned int nbeads = beads.size();
261		DynamicRectMatrix<RealType> B(3*nbeads, 3*nbeads);
262		DynamicRectMatrix<RealType> C(3*nbeads, 3*nbeads);
263		Mat3x3d I;
#	Line 293 | Line 294 | namespace OpenMD {
294
295		//prepare U Matrix relative to arbitrary origin O(0.0, 0.0, 0.0)
296		std::vector<Mat3x3d> U;
297	<	for (int i = 0; i < nbeads; ++i) {
297	>	for (unsigned int i = 0; i < nbeads; ++i) {
298		Mat3x3d currU;
299		currU.setupSkewMat(beads[i].pos);
300		U.push_back(currU);
#	Line 323 | Line 324 | namespace OpenMD {
324		}
325		}
326		// add the volume correction here:
327	<	Xirr += (6.0 * viscosity * volume) * I;
327	>	Xirr += (RealType(6.0) * viscosity * volume) * I;
328
329		Xitt *= PhysicalConstants::viscoConvert;
330		Xitr *= PhysicalConstants::viscoConvert;

Comparing trunk/src/applications/hydrodynamics/ApproximationModel.cpp (property svn:keywords):
Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 UTC vs.
Revision 1782 by gezelter, Wed Aug 22 02:28:28 2012 UTC

#	Line 0 | Line 1
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