diff --git a/sktwocnt/lib/twocnt.F90 b/sktwocnt/lib/twocnt.F90 index 61119113..44f5c63a 100644 --- a/sktwocnt/lib/twocnt.F90 +++ b/sktwocnt/lib/twocnt.F90 @@ -789,7 +789,7 @@ subroutine cropData(inp, tConverged, nDistPer1Bohr, maxdist, skham, skover) integer :: iSmallBatchStart, iSmallBatchEnd !! maximum absolute of H and S matrix elements in current 1 Bohr batch - integer :: maxabs + real(dp) :: maxabs !! end index when cropping H and S integer :: iEnd