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Allow Cell::set_temperature to work when not all temperatures were originally

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This commit is contained in:
Paul Romano 2019-12-10 15:12:53 -06:00
parent 9ddbfd26c9
commit 671e8b49b9
1 changed files with 5 additions and 0 deletions
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5
src/cell.cpp
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@ -258,8 +258,13 @@ Cell::set_temperature(double T, int32_t instance)
}
if (instance >= 0) {
// If temperature vector is not big enough, resize it first
if (sqrtkT_.size() != n_instances_) sqrtkT_.resize(n_instances_, sqrtkT_[0]);
// Set temperature for the corresponding instance
sqrtkT_.at(instance) = std::sqrt(K_BOLTZMANN * T);
} else {
// Set temperature for all instances
for (auto& T_ : sqrtkT_) {
T_ = std::sqrt(K_BOLTZMANN * T);
}