| # | Line 39 | Line 39 | |
|---|---|---|
| 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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