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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/SphericalHarmonic.hpp" |
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#include "math/Wigner3jm_interface.h" |
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namespace oopse { |
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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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> |
const std::string& sele, double rCut, int lMax, int nbins); |
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virtual ~BondOrderParameter(); |
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virtual void process(); |
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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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> |
void writeOrderParameter(std::vector<RealType> Q, std::vector<ComplexType> What); |
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virtual void initalizeHistogram(); |
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< |
virtual void collectHistogram(RealType q_l, RealType w_l); |
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> |
virtual void collectHistogram(std::vector<RealType> q); |
| 65 |
|
|
| 66 |
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Snapshot* currentSnapshot_; |
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|
| 70 |
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SelectionEvaluator evaluator_; |
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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 lMax_; |
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int frameCounter_; |
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+ |
int nBins_; |
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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_; |
| 81 |
< |
RealType sumQ2_; |
| 81 |
< |
int Qcount_; |
| 82 |
< |
std::vector<int> Q_histogram_; |
| 80 |
> |
std::vector<int> Qcount_; |
| 81 |
> |
std::map<std::pair<int,int>,int> Q_histogram_; |
| 82 |
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|
| 83 |
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RealType MinW_; |
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RealType MaxW_; |
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RealType deltaW_; |
| 86 |
< |
RealType sumW_; |
| 87 |
< |
RealType sumW2_; |
| 89 |
< |
int Wcount_; |
| 90 |
< |
std::vector<int> W_histogram_; |
| 86 |
> |
std::vector<int> Wcount_; |
| 87 |
> |
std::map<std::pair<int,int>,int> W_histogram_; |
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}; |
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} |
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|
