[ViewVC] Diff of: group/branches/no-template-branch/OOPSE/libmdtools/Molecule.cpp

Comparing trunk/OOPSE/libmdtools/Molecule.cpp (file contents):
Revision 468 by gezelter, Mon Apr 7 16:56:38 2003 UTC vs.
Revision 483 by gezelter, Wed Apr 9 04:06:43 2003 UTC

#	Line 166 \| Line 166 \| void Molecule::getCOM( double COM[3] ) {
166
167		}
168
169	<	void Molecule::getCOMvel( double mtot, double COMvel[3] ) {
169	>	double Molecule::getCOMvel( double COMvel[3] ) {
170
171	<	double mass;
171	>	double mass, mtot;
172		int i;
173
174		COMvel[0] = 0.0;
#	Line 192 \| Line 192 \| void Molecule::getCOMvel( double mtot, double COMvel[3
192		COMvel[1] /= mtot;
193		COMvel[2] /= mtot;
194
195	+	return mtot;
196	+
197		}
198	+
199	+	void Molecule::atomicRollCall(int* molMembership) {
200	+	int i, which;
201	+
202	+	for (i=0; i < nAtoms; i++) {
203	+	if (myAtoms[i] != NULL) {
204	+	which = myAtoms[i]->getIndex();
205	+	molMembership[which] = myIndex;
206	+	}
207	+	}
208	+	}

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