2 ! { dg-options "-floop-nest-optimize -O1" }
4 SUBROUTINE se_core_core_interaction(calculate_forces
)
5 INTEGER, PARAMETER :: dp
=8
6 LOGICAL, INTENT(in
) :: calculate_forces
7 REAL(KIND
=dp
), DIMENSION(3) :: force_ab
, rij
8 LOGICAL :: lfoo
,kfoo
,mfoo
,nfoo
,ffoo
9 INTEGER, PARAMETER :: mi2
=42
10 CALL dummy(lfoo
,kfoo
,mfoo
,nfoo
,method_id
,core_core
)
15 dr1
= DOT_PRODUCT(rij
,rij
)
16 IF (dr1
> rij_threshold
) THEN
17 SELECT
CASE (method_id
)
19 IF (calculate_forces
) THEN
22 force_ab
= force_ab
+ core_core
*dr3inv
27 enuclear
= enuclear
+ enucij
31 END SUBROUTINE se_core_core_interaction