[ViewVC] Diff of: OpenMD/branches/development/src/applications/nanoparticleBuilder/nanoparticleBuilder.cpp

Comparing branches/development/src/applications/nanoparticleBuilder/nanoparticleBuilder.cpp (file contents):
Revision 1665 by gezelter, Tue Nov 22 20:38:56 2011 UTC vs.
Revision 1829 by gezelter, Wed Jan 9 20:12:59 2013 UTC

#	Line 72 \| Line 72 \| *int main(int argc, char argv []) {**
72
73		int main(int argc, char *argv []) {
74
75	–	//register force fields
76	–	registerForceFields();
75		registerLattice();
76
77		gengetopt_args_info args_info;
#	Line 127 \| Line 125 \| *int main(int argc, char argv []) {**
125		/* Build a lattice and get lattice points for this lattice constant */
126		vector<Vector3d> sites = nanoParticle.getSites();
127		vector<Vector3d> orientations = nanoParticle.getOrientations();
128	+
129	+
130		std::vector<int> vacancyTargets;
131		vector<bool> isVacancy;
132
#	Line 377 \| Line 377 \| *int main(int argc, char argv []) {**
377		mol = NewInfo->beginMolecule(mi);
378
379		int l = 0;
380	–	int whichSite = 0;
380
381		for (int i = 0; i < nComponents; i++){
382		locator = new MoLocator(NewInfo->getMoleculeStamp(i),

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