From f326801e565001c720f8dc8b25986f2d9307e2ab Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Mon, 21 Nov 2016 23:31:28 +0100 Subject: [PATCH] Fixed mrcepa0_general.irp.f --- plugins/mrcepa0/dressing.irp.f | 1 - plugins/mrcepa0/mrcepa0_general.irp.f | 2 +- 2 files changed, 1 insertion(+), 2 deletions(-) diff --git a/plugins/mrcepa0/dressing.irp.f b/plugins/mrcepa0/dressing.irp.f index cba4629b..0c67ab99 100644 --- a/plugins/mrcepa0/dressing.irp.f +++ b/plugins/mrcepa0/dressing.irp.f @@ -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) & diff --git a/plugins/mrcepa0/mrcepa0_general.irp.f b/plugins/mrcepa0/mrcepa0_general.irp.f index d9607e6a..1b2e2fcb 100644 --- a/plugins/mrcepa0/mrcepa0_general.irp.f +++ b/plugins/mrcepa0/mrcepa0_general.irp.f @@ -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