From 2dc927f80a53c47f2d3791d50b0cdbb1f95324d2 Mon Sep 17 00:00:00 2001 From: Yann Garniron Date: Mon, 26 Feb 2018 14:18:49 +0100 Subject: [PATCH] wrong ezfio variables were set --- plugins/dress_zmq/dress_general.irp.f | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/plugins/dress_zmq/dress_general.irp.f b/plugins/dress_zmq/dress_general.irp.f index 1f33e2d6..6b68de74 100644 --- a/plugins/dress_zmq/dress_general.irp.f +++ b/plugins/dress_zmq/dress_general.irp.f @@ -27,7 +27,7 @@ subroutine run(N_st,energy) enddo SOFT_TOUCH psi_coef ci_energy_dressed call write_double(6,ci_energy_dressed(1),"Final dress energy") - call ezfio_set_mrcepa0_energy(ci_energy_dressed(1)) + call ezfio_set_dress_zmq_energy(ci_energy_dressed(1)) call save_wavefunction else E_new = 0.d0 @@ -53,7 +53,7 @@ subroutine run(N_st,energy) call write_double(6,delta_E,"delta_E") delta_E = dabs(delta_E) call save_wavefunction - call ezfio_set_mrcepa0_energy(ci_energy_dressed(1)) + call ezfio_set_dress_zmq_energy(ci_energy_dressed(1)) if (iteration >= n_it_dress_max) then exit endif @@ -128,7 +128,7 @@ subroutine run_pt2(N_st,energy) print *, 'E+PT2 = ', energy+pt2 print *, '-----' - call ezfio_set_mrcepa0_energy_pt2(energy(1)+pt2(1)) + call ezfio_set_dress_zmq_energy_pt2(energy(1)+pt2(1)) end