| # | Line 239 | Line 239 | void SimSetup::createSim( void ){ | |
|---|---|---|
| 239 | ||
| 240 | ||
| 241 | globalIndex = mpiSim->divideLabor(); | |
| 242 | – | |
| 243 | – | |
| 242 | ||
| 243 | // set up the local variables | |
| 244 | ||
| # | Line 660 | Line 658 | void SimSetup::createSim( void ){ | |
| 658 | if( !strcmp( force_field, "TraPPE_Ex" ) ) new Symplectic( simnfo, the_ff ); | |
| 659 | if( !strcmp( force_field, "LJ" ) ) new Verlet( *simnfo, the_ff ); | |
| 660 | ||
| 661 | < | |
| 661 | > | #ifdef IS_MPI |
| 662 | > | mpiSim->mpiRefresh(); |
| 663 | > | #endif |
| 664 | ||
| 665 | // initialize the Fortran | |
| 666 | < | |
| 666 | > | |
| 667 | > | |
| 668 | simnfo->refreshSim(); | |
| 669 | ||
| 670 | if( !strcmp( simnfo->mixingRule, "standard") ){ | |
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |