| # | Line 40 | Line 40 | |
|---|---|---|
| 40 | * [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 <stdio.h> | |
| 48 | #include <string.h> | |
| 49 | ||
| # | Line 57 | Line 61 | |
| 61 | #include "math/erfc.hpp" | |
| 62 | #include "math/SquareMatrix.hpp" | |
| 63 | #include "primitives/Molecule.hpp" | |
| 60 | – | #ifdef IS_MPI |
| 61 | – | #include <mpi.h> |
| 62 | – | #endif |
| 64 | ||
| 65 | namespace OpenMD { | |
| 66 | ||
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