| 222 |
|
double time; |
| 223 |
|
|
| 224 |
|
fpos_t *framePos; |
| 225 |
+ |
framePos = frameStart[whichFrame]->getPos(); |
| 226 |
|
|
| 227 |
|
#ifndef IS_MPI |
| 228 |
|
|
| 228 |
– |
framePos = frameStart[whichFrame]->getPos(); |
| 229 |
– |
|
| 229 |
|
fsetpos(inFile, framePos); |
| 230 |
|
|
| 231 |
|
|
| 465 |
|
|
| 466 |
|
char *foo; // the pointer to the current string token |
| 467 |
|
|
| 468 |
< |
double pos[3]; // position place holders |
| 469 |
< |
double vel[3]; // velocity placeholders |
| 470 |
< |
double q[4]; // the quaternions |
| 471 |
< |
double jx, jy, jz; // angular velocity placeholders; |
| 468 |
> |
double pos[3]; // position place holders |
| 469 |
> |
double vel[3]; // velocity placeholders |
| 470 |
> |
double q[4]; // the quaternions |
| 471 |
> |
double ji[3]; // angular velocity placeholders; |
| 472 |
|
double qSqr, qLength; // needed to normalize the quaternion vector. |
| 473 |
|
|
| 474 |
|
Atom **atoms = simnfo->atoms; |
| 629 |
|
inName, n_atoms, atomIndex ); |
| 630 |
|
return strdup( painCave.errMsg ); |
| 631 |
|
} |
| 632 |
< |
jx = atof( foo ); |
| 632 |
> |
ji[0] = atof( foo ); |
| 633 |
|
|
| 634 |
|
foo = strtok(NULL, " ,;\t"); |
| 635 |
|
if(foo == NULL){ |
| 639 |
|
inName, n_atoms, atomIndex ); |
| 640 |
|
return strdup( painCave.errMsg ); |
| 641 |
|
} |
| 642 |
< |
jy = atof(foo ); |
| 642 |
> |
ji[1] = atof(foo ); |
| 643 |
|
|
| 644 |
|
foo = strtok(NULL, " ,;\t"); |
| 645 |
|
if(foo == NULL){ |
| 649 |
|
inName, n_atoms, atomIndex ); |
| 650 |
|
return strdup( painCave.errMsg ); |
| 651 |
|
} |
| 652 |
< |
jz = atof( foo ); |
| 652 |
> |
ji[2] = atof( foo ); |
| 653 |
|
|
| 654 |
|
dAtom = ( DirectionalAtom* )atoms[atomIndex]; |
| 655 |
|
|
| 667 |
|
|
| 668 |
|
// add the angular velocities |
| 669 |
|
|
| 670 |
< |
dAtom->setJx( jx ); |
| 672 |
< |
dAtom->setJy( jy ); |
| 673 |
< |
dAtom->setJz( jz ); |
| 670 |
> |
dAtom->setJ( ji ); |
| 671 |
|
} |
| 672 |
|
|
| 673 |
|
// add the positions and velocities to the atom |
