[ViewVC] Diff of: OpenMD/trunk/src/applications/simpleBuilder/simpleBuilder.cpp

Comparing trunk/src/applications/simpleBuilder/simpleBuilder.cpp (file contents):
Revision 484 by tim, Tue Apr 12 21:58:09 2005 UTC vs.
Revision 487 by tim, Tue Apr 12 22:33:50 2005 UTC

#	Line 77 \| Line 77 \| *int main(int argc, char argv []) {**
77		std::string outPrefix;
78		std::string outMdFileName;
79		std::string outInitFileName;
80	<	BaseLattice *simpleLat;
80	>	Lattice *simpleLat;
81		int numMol;
82		double latticeConstant;
83		std::vector<double> lc;
#	Line 104 \| Line 104 \| *int main(int argc, char argv []) {**
104		//get lattice type
105		latticeType = UpperCase(args_info.latticetype_arg);
106
107	<	if (!LatticeFactory::getInstance()->hasLatticeCreator(latticeType)) {
108	<	std::cerr << latticeType << " is an invalid lattice type" << std::endl;
109	<	std::cerr << LatticeFactory::getInstance()->toString() << std::endl;
110	<	exit(1);
107	>	simpleLat = LatticeFactory::getInstance()->createLattice(latticeType);
108	>
109	>	if (simpleLat == NULL) {
110	>	sprintf(painCave.errMsg, "Lattice Factory can not create %s lattice\n",
111	>	latticeType.c_str());
112	>	painCave.isFatal = 1;
113	>	simError();
114		}
115
116		//get the number of unit cell
#	Line 187 \| Line 190 \| *int main(int argc, char argv []) {**
190		<< std::endl;
191		std::cerr << "A new .md file: " << outMdFileName
192		<< " is generated, use it to rerun the simpleBuilder" << std::endl;
193	<	exit(1);
193	>	exit(1);
194		}
195
196		//determine the output file names

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