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 |
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* [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 |
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*/ |
42 |
|
|
43 |
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/** |
61 |
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#include "io/ForceFieldOptions.hpp" |
62 |
|
#include "UseTheForce/ForceField.hpp" |
63 |
|
#include "nonbonded/SwitchingFunction.hpp" |
64 |
+ |
#ifdef IS_MPI |
65 |
+ |
#include <mpi.h> |
66 |
+ |
#endif |
67 |
|
|
68 |
|
using namespace std; |
69 |
|
namespace OpenMD { |