| # | Line 7 | Line 7 | using namespace std; | |
|---|---|---|
| 7 | ||
| 8 | #include "ForceFields.hpp" | |
| 9 | #include "SRI.hpp" | |
| 10 | + | #include "simError.h" |
| 11 | ||
| 11 | – | |
| 12 | TraPPEFF::TraPPEFF(){ | |
| 13 | + | |
| 14 | + | #ifdef IS_MPI |
| 15 | + | sprintf( painCave.errMsg, |
| 16 | + | "TraPPE ForceField does not currently support mpi" ); |
| 17 | + | painCave.isFatal = 1; |
| 18 | + | simError(); |
| 19 | + | #endif // is_mpi |
| 20 | ||
| 21 | + | |
| 22 | char fileName[200]; | |
| 23 | char* ffPath_env = "FORCE_PARAM_PATH"; | |
| 24 | char* ffPath; | |
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