[ViewVC] Diff of: group/trunk/OOPSE/libmdtools/NPTf.cpp

Comparing trunk/OOPSE/libmdtools/NPTf.cpp (file contents):
Revision 855 by mmeineke, Thu Nov 6 22:01:37 2003 UTC vs.
Revision 857 by mmeineke, Fri Nov 7 17:09:48 2003 UTC

#	Line 1 \| Line 1
1		#include <math.h>
2	+
3		#include "Atom.hpp"
4		#include "SRI.hpp"
5		#include "AbstractClasses.hpp"
#	Line 116 \| Line 117 \| template<typename T> void NPTf<T>::evolveEtaB() {
117		}
118		}
119
120	<	template<typename T> void NPTf<T>::getVelScaleA(double sc[3], double vel[3]) {
120	>	template<typename T> void NPTf<T>::calcVelScale(void){
121		int i,j;
121	–	double vScale[3][3];
122
123		for (i = 0; i < 3; i++ ) {
124		for (j = 0; j < 3; j++ ) {
#	Line 129 \| Line 129 \| template<typename T> void NPTf<T>::getVelScaleA(double
129		}
130		}
131		}
132	+	}
133
134	+	template<typename T> void NPTf<T>::getVelScaleA(double sc[3], double vel[3]) {
135	+
136		info->matVecMul3( vScale, vel, sc );
137		}
138
139		template<typename T> void NPTf<T>::getVelScaleB(double sc[3], int index ){
140	<	int i,j;
140	>	int j;
141		double myVel[3];
142		double vScale[3][3];
143
141	–	for (i = 0; i < 3; i++ ) {
142	–	for (j = 0; j < 3; j++ ) {
143	–	vScale[i][j] = eta[i][j];
144	–
145	–	if (i == j) {
146	–	vScale[i][j] += chi;
147	–	}
148	–	}
149	–	}
150	–
144		for (j = 0; j < 3; j++)
145		myVel[j] = oldVel[3*index + j];
146

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