35 |
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* |
36 |
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* [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). |
37 |
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* [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). |
38 |
< |
* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). |
38 |
> |
* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008). |
39 |
|
* [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). |
40 |
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* [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). |
41 |
|
*/ |
55 |
|
|
56 |
|
Velocitizer::Velocitizer(SimInfo* info) : info_(info), thermo(info) { |
57 |
|
|
58 |
< |
int seedValue; |
58 |
> |
|
59 |
|
Globals * simParams = info->getSimParams(); |
60 |
|
|
61 |
|
#ifndef IS_MPI |
62 |
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if (simParams->haveSeed()) { |
63 |
< |
seedValue = simParams->getSeed(); |
63 |
> |
int seedValue = simParams->getSeed(); |
64 |
|
randNumGen_ = new SeqRandNumGen(seedValue); |
65 |
|
}else { |
66 |
|
randNumGen_ = new SeqRandNumGen(); |
67 |
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} |
68 |
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#else |
69 |
|
if (simParams->haveSeed()) { |
70 |
< |
seedValue = simParams->getSeed(); |
70 |
> |
int seedValue = simParams->getSeed(); |
71 |
|
randNumGen_ = new ParallelRandNumGen(seedValue); |
72 |
|
}else { |
73 |
|
randNumGen_ = new ParallelRandNumGen(); |