[ViewVC] Diff of: OpenMD/trunk/src/UseTheForce/WATER.cpp

Comparing trunk/src/UseTheForce/WATER.cpp (file contents):
Revision 201 by chrisfen, Thu Oct 28 17:22:55 2004 UTC vs.
Revision 202 by gezelter, Thu Nov 4 16:20:28 2004 UTC

#	Line 559 \| Line 559 \| void WATER::readParams( void ){
559		if (currentAtomType->isDirectional) {
560		if (currentDirectionalType->isDipole) {
561		((DirectionalAtomType*)at)->setDipole();
562	–	entry_plug->useDipoles = 1;
562		}
563
564		if (currentDirectionalType->isSticky) {
565		((DirectionalAtomType*)at)->setSticky();
567	–	entry_plug->useSticky = 1;
566		}
567		}
568
#	Line 663 \| Line 661 \| void WATER::initializeAtoms( int nAtoms, Atom the_at**
661		the_atoms[i]->setMass( currentAtomType->mass );
662		the_atoms[i]->setIdent( currentAtomType->ident );
663
664	+	if (currentAtomType->isLJ) entry_plug->useLennardJones = 1;
665	+	if (currentAtomType->isCharge) entry_plug->useCharges = 1;
666	+	if (currentAtomType->isDirectional) {
667	+	if (currentDirectionalType->isDipole) entry_plug->useDipoles = 1;
668	+	if (currentDirectionalType->isSticky) entry_plug->useSticky = 1;
669	+	}
670	+
671		if( bigSigma < currentAtomType->sigma ) bigSigma = currentAtomType->sigma;
672
673		the_atoms[i]->setHasCharge(currentAtomType->isCharge);

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