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 |
|
|