# | Line 12 | Line 12 | using namespace std; | |
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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; |
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