| # | Line 213 | Line 213 | void LJfunctionWrapper( void (*p1)( int* ident, double | |
|---|---|---|
| 213 | short int* doPotentialCalc ) ){ | |
| 214 | ||
| 215 | ||
| 216 | < | p1 = newLJtype; |
| 217 | < | p2 = initLJfortran; |
| 216 | > | newLJtype = p1; |
| 217 | > | initLJfortran = p2; |
| 218 | currentLJwrap->setLJfortran( p3 ); | |
| 219 | } | |
| 220 | ||
| # | Line 386 | Line 386 | void LJ_FF::initializeAtoms( void ){ | |
| 386 | ||
| 387 | if( currentAtomType->name[0] != '\0' ){ | |
| 388 | isError = 0; | |
| 389 | < | newLJtype( &(currentAtomType->ident), |
| 389 | > | newLJtype( &(currentAtomType->ident), |
| 390 | &(currentAtomType->mass), | |
| 391 | &(currentAtomType->epslon), | |
| 392 | &(currentAtomType->sigma), | |
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |