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#include "selection/SelectionManager.hpp" |
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#include "applications/staticProps/StaticAnalyser.hpp" |
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#include "math/Vector3.hpp" |
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+ |
#include "math/Wigner3jm_interface.h" |
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namespace oopse { |
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+ |
|
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class BondOrderParameter : public StaticAnalyser{ |
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public: |
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BondOrderParameter(SimInfo* info, const std::string& filename, |
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const std::string& sele, double rCut, int lNumber, int nbins); |
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|
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< |
class BondOrderParameter : public StaticAnalyser{ |
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public: |
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BondOrderParameter(SimInfo* info, const std::string& filename, const std::string& sele1, |
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const std::string& sele2, double rCut, int lNumber ); |
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virtual void process(); |
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> |
virtual ~BondOrderParameter(); |
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> |
virtual void process(); |
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private: |
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> |
private: |
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> |
|
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> |
void writeOrderParameter(RealType Q_l, RealType W_l_hat); |
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> |
virtual void initalizeHistogram(); |
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> |
virtual void collectHistogram(RealType q_l, RealType w_l); |
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< |
struct OrderParam{ |
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RealType p2; |
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< |
Vector3d director; |
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RealType angle; |
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}; |
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< |
void writeP2(); |
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> |
Snapshot* currentSnapshot_; |
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|
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< |
Snapshot* currentSnapshot_; |
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< |
|
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< |
std::string selectionScript1_; |
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SelectionManager seleMan1_; |
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SelectionEvaluator evaluator1_; |
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> |
std::string selectionScript_; |
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> |
SelectionManager seleMan_; |
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> |
SelectionEvaluator evaluator_; |
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|
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< |
std::vector<Vector3d> neighbors_; |
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< |
std::vector<std::pair<StuntDouble*, StuntDouble*> > sdPairs_; /**< each pair is used to define a vector, vector = first - second */ |
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< |
std::vector<OrderParam> orderParams_; |
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< |
|
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< |
double rCut_; |
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< |
int lNumber_; |
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< |
}; |
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> |
RealType rCut_; |
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> |
int lNumber_; |
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> |
int mSize_; |
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> |
int frameCounter_; |
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> |
|
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> |
RealType MinQ_; |
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> |
RealType MaxQ_; |
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> |
RealType deltaQ_; |
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> |
RealType sumQ_; |
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> |
RealType sumQ2_; |
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> |
int Qcount_; |
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> |
std::vector<int> Q_histogram_; |
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> |
|
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> |
RealType MinW_; |
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> |
RealType MaxW_; |
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> |
RealType deltaW_; |
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> |
RealType sumW_; |
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> |
RealType sumW2_; |
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> |
int Wcount_; |
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> |
std::vector<int> W_histogram_; |
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> |
}; |
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} |
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#endif |
