| 62 |
|
|
| 63 |
|
contains |
| 64 |
|
|
| 65 |
< |
subroutine cutoffNotify( this_rcut, this_rsw, this_rlist ) |
| 65 |
> |
subroutine cutoffNotify( this_rcut, this_rsw, this_rlist, cutPolicy) |
| 66 |
|
|
| 67 |
|
real(kind=dp), intent(in) :: this_rcut, this_rsw, this_rlist |
| 68 |
< |
|
| 68 |
> |
integer, intent(in) :: cutPolicy |
| 69 |
|
real(kind=dp) :: rsw, rcut, rlist |
| 70 |
|
integer :: localError |
| 71 |
|
logical :: do_shift |
| 108 |
|
|
| 109 |
|
endif |
| 110 |
|
|
| 111 |
< |
call setDefaultCutoffs(rcut, rsw, rlist, TRADITIONAL_CUTOFF_POLICY) |
| 111 |
> |
call setDefaultCutoffs(rcut, rsw, rlist, cutPolicy) |
| 112 |
|
call setCutoffsRF( rcut, rsw ) |
| 113 |
|
call setLJDefaultCutoff( rcut, do_shift ) |
| 114 |
|
call setCutoffEAM( rcut, localError) |