12 |
|
protected: |
13 |
|
CubicLattice(); |
14 |
|
public: |
15 |
+ |
//get lattice constant of unit cell |
16 |
+ |
vector<double> getLatticeConstant(); |
17 |
|
|
18 |
+ |
//set lattice constant of unit cell |
19 |
+ |
void setLatticeConstant(const vector<double>& lc); |
20 |
+ |
protected: |
21 |
+ |
double latticeParam; |
22 |
|
}; |
23 |
|
|
24 |
|
|
25 |
|
class FCCLattice : public CubicLattice{ |
26 |
|
public: |
27 |
|
FCCLattice(); |
28 |
< |
virtual const string getLatticeType() {return FCCLatticeType;} |
29 |
< |
|
28 |
> |
virtual const string getLatticeType() {return FCCLatticeType;} |
29 |
> |
virtual void update(); |
30 |
> |
|
31 |
|
}; |
32 |
|
|
33 |
< |
|
33 |
> |
/* |
34 |
|
class BCCLattice : public CubicLattice{ |
35 |
|
public: |
36 |
|
BCCLattice(); |
49 |
|
OrthorhombicLattice(); |
50 |
|
virtual const string getLatticeType() {return OrthorhombicLatticeType;} |
51 |
|
}; |
52 |
+ |
*/ |
53 |
|
|
54 |
|
|
47 |
– |
|
55 |
|
#endif |