| 6 |
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* 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. |
| 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). |
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|
*/ |
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|
|
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|
#include <cstring> |
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|
#include "primitives/RigidBody.hpp" |
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#include "primitives/DirectionalAtom.hpp" |
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|
|
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< |
namespace oopse { |
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> |
namespace OpenMD { |
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|
|
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CompositeVisitor::~CompositeVisitor(){ |
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VisitorIterator i; |
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|
VisitorIterator i; |
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int curPriority; |
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|
|
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< |
for(i = visitorList.begin(); i != visitorList.end(); i++){ |
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> |
for(i = visitorList.begin(); i != visitorList.end(); ++i){ |
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|
curPriority = (*i).second; |
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//if new visitor has higher priority, just insert it before current visitor |
| 67 |
|
if(priority > curPriority){ |
| 135 |
|
sprintf(buffer , "visitors in current priority list:\n"); |
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result += buffer; |
| 137 |
|
|
| 138 |
< |
for(i = visitorList.begin(); i != visitorList.end(); i++){ |
| 138 |
> |
for(i = visitorList.begin(); i != visitorList.end(); ++i){ |
| 139 |
|
sprintf(buffer, "Priority = %d\tvisitor = %s\n", (*i).second, ((*i).first->getVisitorName()).c_str()); |
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result += buffer; |
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} |
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sprintf(buffer, "Detail information about every visitor:\n"); |
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|
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|
|
| 146 |
< |
for(i = visitorList.begin(); i != visitorList.end(); i++) |
| 146 |
> |
for(i = visitorList.begin(); i != visitorList.end(); ++i) |
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|
result += ((*i).first)->toString(); |
| 148 |
|
|
| 149 |
|
sprintf(buffer ,"******************************************************************\n"); |
| 160 |
|
curVisitor->update(); |
| 161 |
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} |
| 162 |
|
|
| 163 |
< |
}//namespace oopse |
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> |
}//namespace OpenMD |
