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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 | – | #include <math.h> |
44 | – | #include <iostream> |
42 | ||
43 | #ifdef IS_MPI | |
44 | #include <mpi.h> | |
45 | #endif //is_mpi | |
46 | + | |
47 | + | #include <math.h> |
48 | + | #include <iostream> |
49 | ||
50 | #include "brains/Thermo.hpp" | |
51 | #include "primitives/Molecule.hpp" |
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