[ViewVC] Diff of: group/trunk/SHAPES/GridBuilder.cpp

Comparing trunk/SHAPES/GridBuilder.cpp (file contents):
Revision 1285 by chrisfen, Tue Jun 22 18:04:58 2004 UTC vs.
Revision 1306 by chrisfen, Fri Jun 25 17:54:51 2004 UTC

#	Line 1 \| Line 1
1		#include "GridBuilder.hpp"
2	–	#include "MatVec3.h"
2		#define PI 3.14159265359
3
4
#	Line 25 \| Line 24 \| void GridBuilder::launchProbe(int forceField, vector<d
24		double sigTemp, sTemp, epsTemp, sigProbe;
25		double minDist = 10.0; //minimum start distance
26
28	–	sList = sGrid;
27		sigList = sigmaGrid;
28	+	sList = sGrid;
29		epsList = epsGrid;
30		forcefield = forceField;
31
#	Line 68 \| Line 67 \| void GridBuilder::launchProbe(int forceField, vector<d
67
68		for (k =0; k < gridwidth; k++) {
69		thetaVal = thetaMin + k*thetaStep;
71	–	printf("Theta step %i\n", k);
70		for (j=0; j < gridwidth; j++) {
71	<	phiVal = j*phiStep;
71	>	phiVal = jphiStep + 0.5PI;
72	>	if (phiVal>=2*PI)
73	>	phiVal -= 2*PI;
74
75		rbMol->setEuler(0.0, thetaVal, phiVal);
76
#	Line 223 \| Line 223 \| void GridBuilder::printGridFiles(){
223		epsOut << epsList[k] << "\n0\n";
224		}
225		}
226	+

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