ViewVC Help

View File | Revision Log | Show Annotations | View Changeset | Root Listing

root/OpenMD/branches/devel_omp/src/UseTheForce/DUFF.cpp

Comparing:
trunk/src/UseTheForce/DUFF.cpp (file contents), Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 UTC vs.
branches/development/src/UseTheForce/DUFF.cpp (file contents), Revision 1483 by gezelter, Tue Jul 27 21:17:31 2010 UTC

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

Comparing:
trunk/src/UseTheForce/DUFF.cpp (property svn:keywords), Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 UTC vs.
branches/development/src/UseTheForce/DUFF.cpp (property svn:keywords), Revision 1483 by gezelter, Tue Jul 27 21:17:31 2010 UTC

#	Line 0 | Line 1
1	+	Author Id Revision Date

Diff Legend

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