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#ifdef IS_MPI |
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void SimCreator::divideMolecules(SimInfo *info) { |
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< |
double numerator; |
356 |
< |
double denominator; |
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< |
double precast; |
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< |
double x; |
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< |
double y; |
360 |
< |
double a; |
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> |
RealType numerator; |
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> |
RealType denominator; |
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> |
RealType precast; |
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> |
RealType x; |
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> |
RealType y; |
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> |
RealType a; |
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int old_atoms; |
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int add_atoms; |
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int new_atoms; |
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// Pacc(x) = exp(- a * x) |
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// where a = penalty / (average atoms per molecule) |
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x = (double)(new_atoms - nTarget); |
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> |
x = (RealType)(new_atoms - nTarget); |
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y = myRandom->rand(); |
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if (y < exp(- a * x)) { |