[ViewVC] Diff of: group/trunk/OOPSE-1.0/libmdtools/LJFF.cpp

Comparing trunk/OOPSE-1.0/libmdtools/LJFF.cpp (file contents):
Revision 1425 by gezelter, Fri Jul 16 18:58:03 2004 UTC vs.
Revision 1426 by gezelter, Wed Jul 28 16:26:33 2004 UTC

#	Line 400 \| Line 400 \| void LJFF::readParams( void ){
400
401		}
402
403	+	double LJFF::getAtomTypeMass (char* atomType) {
404
405	+	currentAtomType = headAtomType->find( atomType );
406	+	if( currentAtomType == NULL ){
407	+	sprintf( painCave.errMsg,
408	+	"AtomType error, %s not found in force file.\n",
409	+	atomType );
410	+	painCave.isFatal = 1;
411	+	simError();
412	+	}
413	+
414	+	return currentAtomType->mass;
415	+	}
416	+
417		void LJFF::initializeAtoms( int nAtoms, Atom** the_atoms ){
418
419		int i;
#	Line 555 \| Line 568 \| *int LJ_NS::parseAtom( char lineBuffer, int lineNum,**
568		}
569		else return 0;
570		}
571	+
572	+

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