# | Line 36 | Line 36 | |
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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, 24107 (2008). | |
39 | < | * [4] Vardeman & Gezelter, in progress (2009). |
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 293 | Line 294 | namespace OpenMD { | |
294 | ||
295 | void releaseRigidBodyIndex(std::vector<int> indices) { | |
296 | rigidBodyIndexContainer_.insert(indices); | |
297 | + | } |
298 | + | |
299 | + | int getNextCutoffGroupIndex() { |
300 | + | return cutoffGroupIndexContainer_.pop(); |
301 | + | } |
302 | + | |
303 | + | std::vector<int> getCutoffGroupIndicesBefore(int index) { |
304 | + | return cutoffGroupIndexContainer_.getIndicesBefore(index); |
305 | + | } |
306 | + | |
307 | + | void releaseCutoffGroupIndex(int index) { |
308 | + | cutoffGroupIndexContainer_.insert(index); |
309 | } | |
310 | + | |
311 | + | void releaseCutoffGroupIndex(int beginIndex, int endIndex) { |
312 | + | cutoffGroupIndexContainer_.insert(beginIndex, endIndex); |
313 | + | } |
314 | + | |
315 | + | void releaseCutoffGroupIndex(std::vector<int> indices) { |
316 | + | cutoffGroupIndexContainer_.insert(indices); |
317 | + | } |
318 | ||
319 | private: | |
320 | ||
321 | IndexListContainer atomIndexContainer_; | |
322 | IndexListContainer rigidBodyIndexContainer_; | |
323 | + | IndexListContainer cutoffGroupIndexContainer_; |
324 | }; | |
325 | ||
326 | } //end namespace OpenMD |
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