| # | Line 12 | Line 12 | using namespace std; | |
|---|---|---|
| 12 | #include "fortranWrappers.hpp" | |
| 13 | ||
| 14 | #ifdef IS_MPI | |
| 15 | – | #include <mpi++.h> |
| 15 | #include "mpiForceField.h" | |
| 16 | #endif // is_mpi | |
| 17 | ||
| # | Line 758 | Line 757 | void TraPPE_ExFF::readParams( void ){ | |
| 757 | double GB_dummy = 0.0; | |
| 758 | ||
| 759 | ||
| 760 | < | currentAtomType = headAtomType; |
| 760 | > | currentAtomType = headAtomType->next;; |
| 761 | while( currentAtomType != NULL ){ | |
| 762 | ||
| 763 | if(currentAtomType->isDipole) entry_plug->useDipole = 1; | |
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |