| 44 |
|
#include "selection/SelectionManager.hpp" |
| 45 |
|
#include "applications/staticProps/StaticAnalyser.hpp" |
| 46 |
|
#include "math/Vector3.hpp" |
| 47 |
+ |
#include "math/SphericalHarmonic.hpp" |
| 48 |
|
#include "math/Wigner3jm_interface.h" |
| 49 |
|
|
| 50 |
|
namespace oopse { |
| 52 |
|
class BondOrderParameter : public StaticAnalyser{ |
| 53 |
|
public: |
| 54 |
|
BondOrderParameter(SimInfo* info, const std::string& filename, |
| 55 |
< |
const std::string& sele, double rCut, int lNumber, int nbins); |
| 55 |
> |
const std::string& sele, double rCut, int lMax, int nbins); |
| 56 |
|
|
| 57 |
|
virtual ~BondOrderParameter(); |
| 58 |
|
virtual void process(); |
| 59 |
|
|
| 60 |
|
private: |
| 61 |
< |
|
| 62 |
< |
void writeOrderParameter(RealType ql, RealType wlhat); |
| 61 |
> |
|
| 62 |
> |
void writeOrderParameter(std::vector<RealType> Q, std::vector<ComplexType> What); |
| 63 |
> |
virtual void initalizeHistogram(); |
| 64 |
> |
virtual void collectHistogram(std::vector<RealType> q); |
| 65 |
|
|
| 66 |
|
Snapshot* currentSnapshot_; |
| 67 |
|
|
| 70 |
|
SelectionEvaluator evaluator_; |
| 71 |
|
|
| 72 |
|
RealType rCut_; |
| 73 |
< |
int lNumber_; |
| 71 |
< |
int mSize_; |
| 73 |
> |
int lMax_; |
| 74 |
|
int frameCounter_; |
| 75 |
+ |
int nBins_; |
| 76 |
+ |
|
| 77 |
+ |
RealType MinQ_; |
| 78 |
+ |
RealType MaxQ_; |
| 79 |
+ |
RealType deltaQ_; |
| 80 |
+ |
std::vector<int> Qcount_; |
| 81 |
+ |
std::map<std::pair<int,int>,int> Q_histogram_; |
| 82 |
+ |
|
| 83 |
+ |
RealType MinW_; |
| 84 |
+ |
RealType MaxW_; |
| 85 |
+ |
RealType deltaW_; |
| 86 |
+ |
std::vector<int> Wcount_; |
| 87 |
+ |
std::map<std::pair<int,int>,int> W_histogram_; |
| 88 |
|
}; |
| 89 |
|
} |
| 90 |
|
|
