--- trunk/OOPSE/libmdtools/notifyCutoffs.F90 2004/05/11 21:31:15 1160 +++ trunk/OOPSE/libmdtools/notifyCutoffs.F90 2004/05/12 19:44:54 1169 @@ -30,15 +30,23 @@ module notifyCutoffs rlist = this_rlist if (rcut .lt. rsw) then - write(*,*) 'warning, rcut = ', rcut, ' but rsw = ', rsw + write(*,*) 'cutoffNotify warning: cutoffRadius is ', rcut + write(*,*) ' but switchingRadius is set larger at ', rsw + write(*,*) ' That is probably not what you wanted to do!' endif if (rlist .lt. rcut) then - write(*,*) 'warning, rlist = ', rlist, ' but rcut = ', rcut + write(*,*) 'cutoffNotify warning: neighborListRadius is ', rlist + write(*,*) ' but cutoffRadius is set larger at ', rcut + write(*,*) ' That is probably a programming error!' endif do_shift = .false. if (abs(rcut-rsw) .lt. 0.0001) then + write(*,*) 'cutoffNotify info: cutoffRadius and switchingRadius' + write(*,*) ' are set to the same value. OOPSE will use' + write(*,*) ' shifted Lennard-Jones potentials instead of' + write(*,*) ' switching functions.' do_shift = .true. endif