# | Line 239 | Line 239 | void SimSetup::createSim( void ){ | |
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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") ){ |
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