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Fixed mrcepa0_general.irp.f

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This commit is contained in:
Anthony Scemama 2016-11-21 23:31:28 +01:00
parent 94d7aed238
commit f326801e56
2 changed files with 1 additions and 2 deletions
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1
plugins/mrcepa0/dressing.irp.f
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@ -19,7 +19,6 @@ use bitmasks
delta_ij_s2_mrcc = 0d0
delta_ii_s2_mrcc = 0d0
PROVIDE dij
print *, "Dij", dij(1,1,1:N_states)
provide hh_shortcut psi_det_size! lambda_mrcc
!$OMP PARALLEL DO default(none) schedule(dynamic) &
!$OMP shared(psi_det_generators, N_det_generators, hh_exists, pp_exists, N_int, hh_shortcut) &

2
plugins/mrcepa0/mrcepa0_general.irp.f
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@ -21,7 +21,7 @@ subroutine run(N_st,energy)
n_it_mrcc_max = n_it_max_dressed_ci
if(n_it_mrcc_max == 1) then
do j=1,N_states_diag
do j=1,N_states
do i=1,N_det
psi_coef(i,j) = CI_eigenvectors_dressed(i,j)
enddo