524 |
|
haveOrigRcut = 1; |
525 |
|
origRcut = theRcut; |
526 |
|
rCut = theRcut; |
527 |
+ |
|
528 |
+ |
( rCut > ecr )? rList = rCut + 1.0: rList = ecr + 1.0; |
529 |
|
|
530 |
|
notifyFortranCutOffs( &rCut, &rList, &ecr, &est ); |
531 |
|
} |
541 |
|
haveOrigEcr = 1; |
542 |
|
origEcr = theEcr; |
543 |
|
|
544 |
+ |
( rCut > ecr )? rList = rCut + 1.0: rList = ecr + 1.0; |
545 |
+ |
|
546 |
|
ecr = theEcr; |
547 |
+ |
|
548 |
|
notifyFortranCutOffs( &rCut, &rList, &ecr, &est ); |
549 |
|
} |
550 |
|
|
627 |
|
( rCut > ecr )? rList = rCut + 1.0: rList = ecr + 1.0; |
628 |
|
|
629 |
|
if( cutChanged ){ |
625 |
– |
|
630 |
|
notifyFortranCutOffs( &rCut, &rList, &ecr, &est ); |
631 |
|
} |
632 |
|
|