[ViewVC] Diff of: group/branches/new_design/OOPSE-3.0/src/brains/SimCreator.cpp

Comparing branches/new_design/OOPSE-3.0/src/brains/SimCreator.cpp (file contents):
Revision 1712 by tim, Thu Nov 4 20:55:01 2004 UTC vs.
Revision 1713 by tim, Fri Nov 5 02:56:22 2004 UTC

#	Line 72 \| Line 72 \| *SimModel SimCreator::createSim(const std::string& mdf**
72		parseFile(mdfile, stamps, globals);
73
74		//create the force field
75	<	ForceFiled* ff = ForceFiledFactory::getInstance()->createForceField(globals->getForceField());
75	>	ForceFiled* ff = ForceFieldFactory::getInstance()->createForceField(globals->getForceField());
76
77		//create SimModel
78		model = new SimInfo();
#	Line 80 \| Line 80 \| *SimModel SimCreator::createSim(const std::string& mdf**
80		//gather parameters
81		gatherParameters(model);
82
83	–
84	–
83		//divide the molecules and determine the global index of molecules
84
85		//create the molecules
#	Line 105 \| Line 103 \| void SimCreator::mpiMolDivide() {
103		}
104
105		#ifdef IS_MPI
106	<	void SimCreator::mpiMolDivide() {
106	>	void SimCreator::mpiMolDivide(){
107	>
108	>	mpiSim = new mpiSimulation(info);
109
110	+	mpiSim->divideLabor();
111
112	+	strcpy(checkPointMsg, "Passed nlocal consistency check.");
113	+	MPIcheckPoint();
114		}
112	–
115		#endif
116	+
117	+	Molecule* SimCreator::createMolecule() {
118	+	Molecule* mol = new Molecule();
119	+
120	+
121	+	//create atoms
122	+	mol->addAtom();
123	+
124	+	//create rigid bodies
125	+	createRigidBody(mol);
126	+
127	+	//create bonds
128	+
129	+
130	+
131	+	}
132	+
133		} //end namespace oopse

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