| # | Line 3 | Line 3 | using namespace std; | |
|---|---|---|
| 3 | using namespace std; | |
| 4 | ||
| 5 | ||
| 6 | < | #include <cstdlib> |
| 6 | > | #include <stdlib.h> |
| 7 | ||
| 8 | #ifdef IS_MPI | |
| 9 | #include <mpi.h> | |
| # | Line 27 | Line 27 | void ForceFields::calcRcut( void ){ | |
| 27 | //calc rCut and rList | |
| 28 | ||
| 29 | entry_plug->setRcut( 2.5 * bigSigma ); | |
| 30 | + | |
| 31 | } | |
| 32 | ||
| 33 | void ForceFields::doForces( int calcPot, int calcStress ){ | |
| # | Line 37 | Line 38 | void ForceFields::doForces( int calcPot, int calcStres | |
| 38 | double* trq; | |
| 39 | double* A; | |
| 40 | double* u_l;; | |
| 40 | – | DirectionalAtom* dAtom; |
| 41 | SimState* config; | |
| 42 | ||
| 43 | short int passedCalcPot = (short int)calcPot; | |
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |