| # | Line 52 | Line 52 | class Atom : public StuntDouble { (public) | |
|---|---|---|
| 52 | int hasCharge(void) {return has_charge;} | |
| 53 | ||
| 54 | ||
| 55 | < | virtual void accept(BaseVisitor* v); |
| 55 | > | virtual void accept(BaseVisitor* v) {v->visit(this);} |
| 56 | ||
| 57 | protected: | |
| 58 | ||
| # | Line 66 | Line 66 | class Atom : public StuntDouble { (public) | |
| 66 | double* mu; // the array of dipole moments | |
| 67 | double* ul; // the lab frame unit directional vector | |
| 68 | ||
| 69 | + | double zAngle; // the rotation about the z-axis ( body-fixed ) |
| 70 | + | |
| 71 | double c_mass; /* the mass of the atom in amu */ | |
| 72 | ||
| 73 | int index; /* set the atom's index */ | |
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