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using namespace std; |
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namespace OpenMD { |
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< |
ForceManager::ForceManager(SimInfo * info) : info_(info), switcher_(NULL) { |
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> |
ForceManager::ForceManager(SimInfo * info) : info_(info), switcher_(NULL), |
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> |
initialized_(false) { |
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forceField_ = info_->getForceField(); |
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interactionMan_ = new InteractionManager(); |
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fDecomp_ = new ForceMatrixDecomposition(info_, interactionMan_); |
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RealType rCutSq; |
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bool in_switching_region; |
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RealType sw, dswdr, swderiv; |
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< |
vector<int> atomListColumn, atomListRow, atomListLocal; |
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> |
vector<int> atomListColumn, atomListRow; |
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InteractionData idat; |
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SelfData sdat; |
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RealType mf; |