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 |
|
/** |
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 |