55 |
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56 |
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private: |
57 |
|
|
58 |
< |
struct OrderParam{ |
59 |
< |
RealType p2; |
60 |
< |
Vector3d director; |
61 |
< |
RealType angle; |
62 |
< |
}; |
63 |
< |
void writeP2(); |
58 |
> |
|
59 |
> |
void writeOrderParameter(); |
60 |
> |
virtual void initalizeHistogram(); |
61 |
> |
virtual void collectHistogram(StuntDouble* sd1, StuntDouble* sd2); |
62 |
> |
virtual void processHistogram(); |
63 |
|
|
64 |
|
Snapshot* currentSnapshot_; |
65 |
|
|
71 |
|
std::vector<std::pair<StuntDouble*, StuntDouble*> > sdPairs_; /**< each pair is used to define a vector, vector = first - second */ |
72 |
|
std::vector<OrderParam> orderParams_; |
73 |
|
|
74 |
< |
double rCut_; |
74 |
> |
RealType rCut_; |
75 |
|
int lNumber_; |
76 |
+ |
int mSize_; |
77 |
+ |
RealType* Q_l_; |
78 |
+ |
RealType* W_l_; |
79 |
+ |
RealType* WHat_l_; |
80 |
|
}; |
81 |
|
} |
82 |
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|