| # | Line 20 | Line 20 | module notifyCutoffs | |
|---|---|---|
| 20 | ||
| 21 | real(kind=dp) :: rtaper, rcut, rlist, ecr | |
| 22 | integer :: localError | |
| 23 | < | |
| 24 | < | |
| 23 | > | |
| 24 | rcut = this_rcut | |
| 25 | rlist = this_rlist | |
| 26 | ecr = this_ecr | |
| 27 | rtaper = this_ecr - this_est | |
| 28 | ||
| 29 | + | if ((rlist .lt. rcut) .or. (rlist .lt. ecr)) then |
| 30 | + | write(*,*) 'warning, rlist = ', rlist, ' but rcut, ecr = ', rcut, ecr |
| 31 | + | endif |
| 32 | ||
| 33 | call setRlistDF( rlist ) | |
| 34 | call setCutoffsDipole( ecr, rtaper ) | |
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |