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bugfix large N_det

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This commit is contained in:
Yann Damour 2024-03-26 15:22:20 +01:00
parent 54d836f029
commit 57657cb163
1 changed files with 8 additions and 2 deletions
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src/davidson/diagonalize_ci.irp.f
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@ -176,8 +176,12 @@ END_PROVIDER
if (state_following .and. only_expected_s2) then
integer :: state(N_states), idx,l
double precision :: overlp(N_det), omax
logical :: ok(N_det), used
double precision :: omax
double precision, allocatable :: overlp(:)
logical :: used
logical, allocatable :: ok(:)
allocate(overlp(N_det), ok(N_det))
i_state = 0
state = 0
@ -216,6 +220,8 @@ END_PROVIDER
i_state +=1
enddo
deallocate(overlp, ok)
do i = 1, i_state
index_good_state_array(i) = state(i)
good_state_array(i) = .True.