35 |
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* |
36 |
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* [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). |
37 |
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* [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). |
38 |
< |
* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). |
38 |
> |
* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008). |
39 |
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* [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). |
40 |
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* [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). |
41 |
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*/ |
42 |
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|
43 |
– |
#include "selection/DistanceFinder.hpp" |
44 |
– |
#include "primitives/Molecule.hpp" |
43 |
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#ifdef IS_MPI |
44 |
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#include <mpi.h> |
45 |
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#endif |
46 |
|
|
47 |
+ |
#include "selection/DistanceFinder.hpp" |
48 |
+ |
#include "primitives/Molecule.hpp" |
49 |
+ |
|
50 |
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namespace OpenMD { |
51 |
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|
52 |
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DistanceFinder::DistanceFinder(SimInfo* info) : info_(info) { |