| 120 |
|
double dt2; // half the dt |
| 121 |
|
|
| 122 |
|
double vx, vy, vz; // the velocities |
| 123 |
< |
double vx2, vy2, vz2; // the square of the velocities |
| 123 |
> |
// double vx2, vy2, vz2; // the square of the velocities |
| 124 |
|
double rx, ry, rz; // the postitions |
| 125 |
|
|
| 126 |
|
double ji[3]; // the body frame angular momentum |
| 492 |
|
atoms[i]->set_vy( vy ); |
| 493 |
|
atoms[i]->set_vz( vz ); |
| 494 |
|
|
| 495 |
< |
vx2 = vx * vx; |
| 496 |
< |
vy2 = vy * vy; |
| 497 |
< |
vz2 = vz * vz; |
| 495 |
> |
// vx2 = vx * vx; |
| 496 |
> |
// vy2 = vy * vy; |
| 497 |
> |
// vz2 = vz * vz; |
| 498 |
|
|
| 499 |
|
if( atoms[i]->isDirectional() ){ |
| 500 |
|
|