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protect itermax

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This commit is contained in:
Anthony Scemama 2016-11-23 22:27:10 +01:00
parent 520bb45be8
commit 3aa10822b5
1 changed files with 1 additions and 1 deletions
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src/Davidson/diagonalization_hs2.irp.f
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@ -154,7 +154,7 @@ subroutine davidson_diag_hjj_sjj(dets_in,u_in,H_jj,S2_jj,energies,dim_in,sze,N_s
integer, external :: align_double
sze_8 = align_double(sze)
itermax = min(davidson_sze_max, sze/N_st_diag)
itermax = max(3,min(davidson_sze_max, sze/N_st_diag))
allocate( &
W(sze_8,N_st_diag*itermax), &
U(sze_8,N_st_diag*itermax), &