# | Line 328 | Line 328 | void SimSetup::createSim( void ){ | |
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328 | ||
329 | for( j=0; j<components_nmol[i]; j++ ){ | |
330 | ||
331 | < | if( mol2proc[j] == worldRank ){ |
331 | > | if( mol2proc[allMol] == worldRank ){ |
332 | ||
333 | local_atoms += comp_stamps[i]->getNAtoms(); | |
334 | local_bonds += comp_stamps[i]->getNBonds(); | |
# | Line 385 | Line 385 | void SimSetup::createSim( void ){ | |
385 | if(mol2proc[i] == worldRank ){ | |
386 | the_molecules[molIndex].setStampID( molCompType[i] ); | |
387 | the_molecules[molIndex].setMyIndex( molIndex ); | |
388 | + | the_molecules[molIndex].setGlobalIndex( i ); |
389 | molIndex++; | |
390 | } | |
391 | } | |
# | Line 396 | Line 397 | void SimSetup::createSim( void ){ | |
397 | for(j=0; j<components_nmol[i]; j++ ){ | |
398 | the_molecules[molIndex].setStampID( i ); | |
399 | the_molecules[molIndex].setMyIndex( molIndex ); | |
400 | + | the_molecules[molIndex].setGlobalIndex( molIndex ); |
401 | molIndex++; | |
402 | } | |
403 | } |
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