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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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| 50 |
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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 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(); |
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> |
|
| 62 |
> |
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_hat); |
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< |
virtual void processHistogram(); |
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> |
virtual void collectHistogram(std::vector<RealType> q, std::vector<ComplexType> what); |
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|
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Snapshot* currentSnapshot_; |
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SelectionEvaluator evaluator_; |
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RealType rCut_; |
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< |
int lNumber_; |
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< |
int mSize_; |
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< |
|
| 73 |
> |
static const int lMax_ = 12; |
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> |
int frameCounter_; |
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> |
int nBins_; |
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> |
|
| 77 |
> |
std::map<std::pair<int,int>,int> m2Min; |
| 78 |
> |
std::map<std::pair<int,int>,int> m2Max; |
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> |
std::map<std::pair<int,int>,std::vector<RealType> > w3j; |
| 80 |
> |
|
| 81 |
> |
RealType MinQ_; |
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RealType MaxQ_; |
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RealType deltaQ_; |
| 84 |
+ |
std::vector<int> Qcount_; |
| 85 |
+ |
std::map<std::pair<int,int>,int> Q_histogram_; |
| 86 |
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|
| 87 |
+ |
RealType MinW_; |
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RealType MaxW_; |
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RealType deltaW_; |
| 90 |
< |
|
| 91 |
< |
std::vector<int> Q_histogram_; |
| 83 |
< |
std::vector<int> W_histogram_; |
| 84 |
< |
|
| 90 |
> |
std::vector<int> Wcount_; |
| 91 |
> |
std::map<std::pair<int,int>,int> W_histogram_; |
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}; |
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} |
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