From 2ef2e8044d338c6c823d7f965f6a62a0c55640b8 Mon Sep 17 00:00:00 2001 From: eginer Date: Thu, 23 Mar 2023 11:24:26 +0100 Subject: [PATCH] added sort_wf.irp.f --- external/qp2-dependencies | 2 +- src/tools/sort_wf.irp.f | 15 ++++++++++++++- 2 files changed, 15 insertions(+), 2 deletions(-) diff --git a/external/qp2-dependencies b/external/qp2-dependencies index ce14f57b..6e23ebac 160000 --- a/external/qp2-dependencies +++ b/external/qp2-dependencies @@ -1 +1 @@ -Subproject commit ce14f57b50511825a9fedb096749200779d3f4d4 +Subproject commit 6e23ebac001acae91d1c762ca934e09a9b7d614a diff --git a/src/tools/sort_wf.irp.f b/src/tools/sort_wf.irp.f index 2e0014ea..038b24c8 100644 --- a/src/tools/sort_wf.irp.f +++ b/src/tools/sort_wf.irp.f @@ -2,6 +2,19 @@ program sort_wf implicit none read_wf = .true. touch read_wf - call save_wavefunction + call routine + +end + +subroutine routine + implicit none + integer :: i + character*(128) :: output + integer :: i_unit_output,getUnitAndOpen + output=trim(ezfio_filename)//'.wf_sorted' + i_unit_output = getUnitAndOpen(output,'w') + do i = 1, N_det + write(i_unit_output, *)i,dabs(psi_coef_sorted(i,1)) + enddo end