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using namespace std; |
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namespace OpenMD { |
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< |
ForceManager::ForceManager(SimInfo * info) : info_(info), |
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initialized_(false), |
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> |
ForceManager::ForceManager(SimInfo * info) : initialized_(false), info_(info), |
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switcher_(NULL) { |
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forceField_ = info_->getForceField(); |
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interactionMan_ = new InteractionManager(); |
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void ForceManager::setupCutoffs() { |
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Globals* simParams_ = info_->getSimParams(); |
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ForceFieldOptions& forceFieldOptions_ = forceField_->getForceFieldOptions(); |
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int mdFileVersion; |
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rCut_ = 0.0; //Needs a value for a later max() call; |
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} |
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} |
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724 |
< |
for (cg1 = 0; cg1 < point_.size() - 1; cg1++) { |
724 |
> |
for (cg1 = 0; cg1 < int(point_.size()) - 1; cg1++) { |
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atomListRow = fDecomp_->getAtomsInGroupRow(cg1); |
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newAtom1 = true; |