| 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(); |
| 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 |
+ |
|
| 73 |
|
double c_mass; /* the mass of the atom in amu */ |
| 74 |
|
|
| 75 |
|
int index; /* set the atom's index */ |
