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root/OpenMD/trunk/src/utils/LocalIndexManager.hpp

Comparing trunk/src/utils/LocalIndexManager.hpp (file contents):
Revision 507 by gezelter, Fri Apr 15 22:04:00 2005 UTC vs.
Revision 1879 by gezelter, Sun Jun 16 15:15:42 2013 UTC

#	Line 6 | Line 6
6		* redistribute this software in source and binary code form, provided
7		* that the following conditions are met:
8		*
9	<	* 1. Acknowledgement of the program authors must be made in any
10	<	*    publication of scientific results based in part on use of the
11	<	*    program.  An acceptable form of acknowledgement is citation of
12	<	*    the article in which the program was described (Matthew
13	<	*    A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher
14	<	*    J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented
15	<	*    Parallel Simulation Engine for Molecular Dynamics,"
16	<	*    J. Comput. Chem. 26, pp. 252-271 (2005))
17	<	*
18	<	* 2. Redistributions of source code must retain the above copyright
9	>	* 1. Redistributions of source code must retain the above copyright
10		*    notice, this list of conditions and the following disclaimer.
11		*
12	<	* 3. Redistributions in binary form must reproduce the above copyright
12	>	* 2. Redistributions in binary form must reproduce the above copyright
13		*    notice, this list of conditions and the following disclaimer in the
14		*    documentation and/or other materials provided with the
15		*    distribution.
#	Line 37 | Line 28
28		* arising out of the use of or inability to use software, even if the
29		* University of Notre Dame has been advised of the possibility of
30		* such damages.
31	+	*
32	+	* SUPPORT OPEN SCIENCE!  If you use OpenMD or its source code in your
33	+	* research, please cite the appropriate papers when you publish your
34	+	* work.  Good starting points are:
35	+	*
36	+	* [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).
37	+	* [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).
38	+	* [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008).
39	+	* [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
40	+	* [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
41		*/
42
43		/**
#	Line 54 | Line 55
55		#include <list>
56		#include <utility>
57
58	<	namespace oopse {
58	>	namespace OpenMD {
59
60		/**
61		* @class IndexListContainer
#	Line 79 | Line 80 | namespace oopse {
80		std::cerr << "" << std::endl;
81		}
82
82	–	IndexListContainerIterator i = indexContainer_.begin();
83		int result;
84
85		result = indexContainer_.front().first;
#	Line 128 | Line 128 | namespace oopse {
128		std::unique(indices.begin(), indices.end());
129
130		std::vector<int>::iterator i;
131	–	IndexListContainerIterator insertPos;
131		int beginIndex;
132
133		beginIndex = indices[0];
#	Line 139 | Line 138 | namespace oopse {
138		beginIndex = *i;
139		}
140		}
142	–
143	–
141		}
142
143		std::vector<int> getIndicesBefore(int index) {
#	Line 196 | Line 193 | namespace oopse {
193		if (endIndex > maxIndex_) {
194		std::cerr << "" << std::endl;
195		}
196	<
200	<
201	<	IndexListContainerIterator j;
202	<
196	>
197		IndexListContainerIterator i = indexContainer_.begin();
198		for (; i != indexContainer_.end(); ++i) {
199		if ((*i).first > endIndex) {
#	Line 294 | Line 288 | namespace oopse {
288		void releaseRigidBodyIndex(std::vector<int> indices) {
289		rigidBodyIndexContainer_.insert(indices);
290		}
291	+
292	+	int getNextCutoffGroupIndex() {
293	+	return cutoffGroupIndexContainer_.pop();
294	+	}
295	+
296	+	std::vector<int> getCutoffGroupIndicesBefore(int index) {
297	+	return cutoffGroupIndexContainer_.getIndicesBefore(index);
298	+	}
299	+
300	+	void releaseCutoffGroupIndex(int index) {
301	+	cutoffGroupIndexContainer_.insert(index);
302	+	}
303	+
304	+	void releaseCutoffGroupIndex(int beginIndex, int endIndex) {
305	+	cutoffGroupIndexContainer_.insert(beginIndex, endIndex);
306	+	}
307	+
308	+	void releaseCutoffGroupIndex(std::vector<int> indices) {
309	+	cutoffGroupIndexContainer_.insert(indices);
310	+	}
311
312		private:
313
314		IndexListContainer atomIndexContainer_;
315		IndexListContainer rigidBodyIndexContainer_;
316	+	IndexListContainer cutoffGroupIndexContainer_;
317		};
318
319	<	} //end namespace oopse
319	>	} //end namespace OpenMD
320		#endif //UTILS_LOCALINDEXMANAGER_HPP

Comparing trunk/src/utils/LocalIndexManager.hpp (property svn:keywords):
Revision 507 by gezelter, Fri Apr 15 22:04:00 2005 UTC vs.
Revision 1879 by gezelter, Sun Jun 16 15:15:42 2013 UTC

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