From cc53cff93274eaca3d5c40bd03e07873f302e9e0 Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Mon, 27 Feb 2017 21:44:28 +0100 Subject: [PATCH] Print nb occ patterns --- src/Determinants/occ_pattern.irp.f | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/src/Determinants/occ_pattern.irp.f b/src/Determinants/occ_pattern.irp.f index e8bb7466..38460f87 100644 --- a/src/Determinants/occ_pattern.irp.f +++ b/src/Determinants/occ_pattern.irp.f @@ -250,7 +250,7 @@ subroutine make_s2_eigenfunction integer, parameter :: bufsze = 1000 logical, external :: is_in_wavefunction - print *, 'Finding determinants for S^2...' + call write_int(6,N_occ_pattern,'Number of occupation patterns') !$OMP PARALLEL DEFAULT(NONE) & !$OMP SHARED(N_occ_pattern, psi_occ_pattern, elec_alpha_num,N_int) & @@ -297,6 +297,7 @@ subroutine make_s2_eigenfunction call copy_H_apply_buffer_to_wf SOFT_TOUCH N_det psi_coef psi_det print *, 'Added determinants for S^2' + call write_time(6) end