| # | Line 24 | Line 24 | class Atom : public StuntDouble { (public) | |
|---|---|---|
| 24 | void setVel( double theV[3] ); | |
| 25 | ||
| 26 | void getFrc( double theF[3] ); | |
| 27 | + | void setFrc( double theF[3] ); |
| 28 | void addFrc( double theF[3] ); | |
| 29 | ||
| 30 | virtual void zeroForces(); | |
| # | Line 65 | Line 66 | class Atom : public StuntDouble { (public) | |
| 66 | double* Amat; // the rotation matrix | |
| 67 | double* mu; // the array of dipole moments | |
| 68 | double* ul; // the lab frame unit directional vector | |
| 69 | + | double* quat; // the quaternion array |
| 70 | ||
| 71 | double zAngle; // the rotation about the z-axis ( body-fixed ) | |
| 72 | ||
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