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 |
|
*/ |
42 |
|
|
43 |
+ |
#ifdef IS_MPI |
44 |
+ |
#include <mpi.h> |
45 |
+ |
#endif |
46 |
+ |
|
47 |
|
#include <algorithm> |
48 |
|
#include <cassert> |
49 |
|
#include <string> |
51 |
|
|
52 |
|
#include "utils/OpenMDBitSet.hpp" |
53 |
|
#include "utils/Algorithm.hpp" |
50 |
– |
#ifdef IS_MPI |
51 |
– |
#include <mpi.h> |
52 |
– |
#endif |
54 |
|
|
55 |
|
namespace OpenMD { |
56 |
|
int OpenMDBitSet::countBits() { |