24 |
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*/ |
25 |
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void complete(); |
26 |
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27 |
< |
Matrix3x3d getI() {return I;} |
28 |
< |
void setI(Matrix3x3d theI) {I = theI;} |
27 |
> |
Mat3x3d getI() {return I;} |
28 |
> |
void setI(Mat3x3d theI) {I = theI;} |
29 |
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|
30 |
< |
void setDipole() { atp.is_Dipole = 1; atp.is_Electrostatic = 1;} |
31 |
< |
bool isDipole() { return atp.is_Dipole; } |
30 |
> |
void setDipole() { atp.is_Dipole = 1; atp.is_Electrostatic = 1; } |
31 |
> |
bool isDipole() { return atp.is_Dipole; } |
32 |
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33 |
< |
void setGayBerne() { atp.is_GayBerne = 1; } |
34 |
< |
bool isGayBerne() { return atp.is_GayBerne; } |
33 |
> |
void setGayBerne() { atp.is_GayBerne = 1; } |
34 |
> |
bool isGayBerne() { return atp.is_GayBerne; } |
35 |
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|
36 |
< |
void setShape() { atp.is_Shape = 1;} |
37 |
< |
bool isShape() { return atp.is_Shape; } |
36 |
> |
void setSticky() { atp.is_Sticky = 1; } |
37 |
> |
bool isSticky() { return atp.is_Sticky; } |
38 |
> |
|
39 |
> |
void setShape() { atp.is_Shape = 1;} |
40 |
> |
bool isShape() { return atp.is_Shape; } |
41 |
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42 |
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private: |
43 |
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44 |
< |
Matrix3x3d I; |
44 |
> |
Mat3x3d I; |
45 |
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46 |
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}; |
47 |
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} |