| # | 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 "config.h" |
| 44 | + | |
| 45 | + | #ifdef IS_MPI |
| 46 | + | #include <mpi.h> |
| 47 | + | #endif |
| 48 | ||
| 49 | #include "io/DumpWriter.hpp" | |
| 50 | #include "primitives/Molecule.hpp" | |
| # | Line 52 | Line 58 | |
| 58 | #ifdef _MSC_VER | |
| 59 | #define isnan(x) _isnan((x)) | |
| 60 | #define isinf(x) (!_finite(x) && !_isnan(x)) | |
| 55 | – | #endif |
| 56 | – | |
| 57 | – | #ifdef IS_MPI |
| 58 | – | #include <mpi.h> |
| 61 | #endif | |
| 62 | ||
| 63 | using namespace std; | |
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| + | Added lines |
| < | Changed lines |
| > | Changed lines |