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Removed printing and temporary fix for buffers.

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This commit is contained in:
vijay gopal chilkuri 2021-03-05 21:44:25 +01:00
parent 2478f0863d
commit 0fc2b0b222
1 changed files with 12 additions and 12 deletions
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24
src/csf/sigma_vector.irp.f
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@ -871,19 +871,19 @@ subroutine calculate_sigma_vector_cfg_nst(psi_out, psi_in, n_st, sze, istart, ie
real*8,intent(out):: psi_out(sze,n_st)
integer(bit_kind) :: Icfg(N_INT,2)
integer :: i,j,k,l,p,q,noccp,noccq, ii, jj, m, n, idxI, kk, nocck,orbk
integer(bit_kind) :: alphas_Icfg(N_INT,2,sze)
integer(bit_kind) :: singlesI(N_INT,2,sze)
integer(bit_kind) :: connectedI_alpha(N_INT,2,sze)
integer :: idxs_singlesI(sze)
integer :: idxs_connectedI_alpha(sze)
integer(bit_kind) :: psi_configuration_out(N_INT,2,sze)
integer(bit_kind) :: alphas_Icfg(N_INT,2,max(sze,100))
integer(bit_kind) :: singlesI(N_INT,2,max(sze,100))
integer(bit_kind) :: connectedI_alpha(N_INT,2,max(sze,100))
integer :: idxs_singlesI(max(sze,100))
integer :: idxs_connectedI_alpha(max(sze,100))
integer(bit_kind) :: psi_configuration_out(N_INT,2,max(sze,100))
real*8 :: psi_coef_out(n_CSF)
logical :: psi_coef_out_init(n_CSF)
integer :: excitationIds_single(2,sze)
integer :: excitationTypes_single(sze)
integer :: excitationIds(2,sze)
integer :: excitationTypes(sze)
real*8 :: diagfactors(sze)
integer :: excitationIds_single(2,max(sze,100))
integer :: excitationTypes_single(max(sze,100))
integer :: excitationIds(2,max(sze,100))
integer :: excitationTypes(max(sze,100))
real*8 :: diagfactors(max(sze,100))
integer :: nholes
integer :: nvmos
integer :: listvmos(mo_num)
@ -911,7 +911,7 @@ subroutine calculate_sigma_vector_cfg_nst(psi_out, psi_in, n_st, sze, istart, ie
!PROVIDE mo_two_e_integrals_in_map mo_integrals_map big_array_exchange_integrals
print *," sze = ",sze
!print *," sze = ",sze
call calculate_preconditioner_cfg(diag_energies)
MS = 0