[ViewVC] Diff of: OpenMD/branches/devel_omp/src/UseTheForce/DUFF.cpp

Comparing branches/development/src/UseTheForce/DUFF.cpp (file contents):
Revision 1465 by chuckv, Fri Jul 9 23:08:25 2010 UTC vs.
Revision 1485 by gezelter, Wed Jul 28 19:52:00 2010 UTC

#	Line 41 \| Line 41
41
42
43		#include "UseTheForce/DUFF.hpp"
44	–	#include "UseTheForce/DarkSide/lj_interface.h"
45	–	#include "UseTheForce/DarkSide/sticky_interface.h"
46	–	#include "UseTheForce/DarkSide/gb_interface.h"
44		#include "UseTheForce/ForceFieldFactory.hpp"
45		#include "io/BaseAtomTypesSectionParser.hpp"
46		#include "io/DirectionalAtomTypesSectionParser.hpp"
#	Line 86 \| Line 83 \| namespace OpenMD {
83
84		void DUFF::parse(const std::string& filename) {
85		ifstrstream* ffStream;
89	–	bool hasGBtypes;
86
87		ffStream = openForceFieldFile(filename);
88
#	Line 116 \| Line 112 \| namespace OpenMD {
112		at->complete();
113		}
114
119	–	hasGBtypes = false;
120	–	for (at = atomTypeCont_.beginType(i); at != NULL;
121	–	at = atomTypeCont_.nextType(i)) {
122	–	if (at->isGayBerne())
123	–	hasGBtypes = true;
124	–	}
125	–
115		int isError = 0;
116
128	–	if (hasGBtypes) {
129	–	completeGBFF(&isError);
130	–	}
131	–
117		delete ffStream;
133	–
118		}
119
136	–	DUFF::~DUFF(){
137	–	destroyLJTypes();
138	–	destroyStickyTypes();
139	–	destroyGayBerneTypes();
140	–	}
120		} //end namespace OpenMD

-–
+Removed lines
-+
+Added lines
-<
+Changed lines
->
+Changed lines