26 |
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27 |
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void getLatticePointsPos(vector<Vector3d>& latticePos, int nx, int ny, int nz); |
28 |
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29 |
< |
vector<Vector3d> getLatticePointsOrt() {return cellSitesOrt;} |
29 |
> |
std::vector<Vector3d> getLatticePointsOrt() {return cellSitesOrt;} |
30 |
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31 |
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//get lattice constant of unit cell |
32 |
< |
virtual vector<double> getLatticeConstant() =0; |
32 |
> |
virtual std::vector<double> getLatticeConstant() =0; |
33 |
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34 |
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//set lattice constant of unit cell |
35 |
< |
virtual void setLatticeConstant(const vector<double>& lc)=0; |
35 |
> |
virtual void setLatticeConstant(const std::vector<double>& lc)=0; |
36 |
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37 |
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//get origin of unit cell |
38 |
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Vector3d getOrigin( ) {return origin;} |
47 |
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48 |
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int nCellSites; |
49 |
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Vector3d origin; |
50 |
< |
vector<Vector3d> cellSitesPos; |
51 |
< |
vector<Vector3d> cellSitesOrt; |
50 |
> |
std::vector<Vector3d> cellSitesPos; |
51 |
> |
std::vector<Vector3d> cellSitesOrt; |
52 |
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Vector3d cellLen; |
53 |
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}; |
54 |
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