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#include "utils/MemoryUtils.hpp" |
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#include "utils/simError.h" |
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#include "selection/SelectionManager.hpp" |
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+ |
#include "io/ForceFieldOptions.hpp" |
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#include "UseTheForce/ForceField.hpp" |
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|
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#ifdef IS_MPI |
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#include "UseTheForce/mpiComponentPlan.h" |
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|
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void SimInfo::setupCutoff() { |
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|
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ForceFieldOptions& forceFieldOptions_ = forceField_->getForceFieldOptions(); |
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|
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// Check the cutoff policy |
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int cp = TRADITIONAL_CUTOFF_POLICY; |
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if (simParams_->haveCutoffPolicy()) { |
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std::string myPolicy = simParams_->getCutoffPolicy(); |
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int cp = TRADITIONAL_CUTOFF_POLICY; // Set to traditional by default |
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> |
|
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> |
std::string myPolicy; |
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> |
if (forceFieldOptions_.haveCutoffPolicy()){ |
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> |
myPolicy = forceFieldOptions_.getCutoffPolicy(); |
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> |
}else if (simParams_->haveCutoffPolicy()) { |
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> |
myPolicy = simParams_->getCutoffPolicy(); |
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} |
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|
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> |
if (!myPolicy.empty()){ |
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toUpper(myPolicy); |
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if (myPolicy == "MIX") { |
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cp = MIX_CUTOFF_POLICY; |