565 |
|
if( rCut > maxCutoff ){ |
566 |
|
sprintf( painCave.errMsg, |
567 |
|
"Box size is too small for the long range cutoff radius, " |
568 |
< |
"%lf, at time %lf\n", |
569 |
< |
rCut, currentTime ); |
568 |
> |
"%G, at time %G\n" |
569 |
> |
" [ %G %G %G ]\n" |
570 |
> |
" [ %G %G %G ]\n" |
571 |
> |
" [ %G %G %G ]\n", |
572 |
> |
rCut, currentTime, |
573 |
> |
Hmat[0][0], Hmat[0][1], Hmat[0][2], |
574 |
> |
Hmat[1][0], Hmat[1][1], Hmat[1][2], |
575 |
> |
Hmat[2][0], Hmat[2][1], Hmat[2][2]); |
576 |
|
painCave.isFatal = 1; |
577 |
|
simError(); |
578 |
|
} |
581 |
|
if( ecr > maxCutoff ){ |
582 |
|
sprintf( painCave.errMsg, |
583 |
|
"Box size is too small for the electrostatic cutoff radius, " |
584 |
< |
"%lf, at time %lf\n", |
585 |
< |
ecr, currentTime ); |
584 |
> |
"%G, at time %G\n" |
585 |
> |
" [ %G %G %G ]\n" |
586 |
> |
" [ %G %G %G ]\n" |
587 |
> |
" [ %G %G %G ]\n", |
588 |
> |
ecr, currentTime, |
589 |
> |
Hmat[0][0], Hmat[0][1], Hmat[0][2], |
590 |
> |
Hmat[1][0], Hmat[1][1], Hmat[1][2], |
591 |
> |
Hmat[2][0], Hmat[2][1], Hmat[2][2]); |
592 |
|
painCave.isFatal = 1; |
593 |
|
simError(); |
594 |
|
} |