# | Line 352 | Line 352 | Globals* SimCreator::parseFile(const std::string mdFil | |
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352 | ||
353 | #ifdef IS_MPI | |
354 | void SimCreator::divideMolecules(SimInfo *info) { | |
355 | < | double numerator; |
356 | < | double denominator; |
357 | < | double precast; |
358 | < | double x; |
359 | < | double y; |
360 | < | double a; |
355 | > | RealType numerator; |
356 | > | RealType denominator; |
357 | > | RealType precast; |
358 | > | RealType x; |
359 | > | RealType y; |
360 | > | RealType a; |
361 | int old_atoms; | |
362 | int add_atoms; | |
363 | int new_atoms; | |
# | Line 469 | Line 469 | Globals* SimCreator::parseFile(const std::string mdFil | |
469 | // Pacc(x) = exp(- a * x) | |
470 | // where a = penalty / (average atoms per molecule) | |
471 | ||
472 | < | x = (double)(new_atoms - nTarget); |
472 | > | x = (RealType)(new_atoms - nTarget); |
473 | y = myRandom->rand(); | |
474 | ||
475 | if (y < exp(- a * x)) { |
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