# | Line 20 | Line 20 | module notifyCutoffs | |
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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 ) |
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