From 02e93a6c87bbfaa9fdfd775ee5c4b77c10f0f0fd Mon Sep 17 00:00:00 2001 From: Linnea Andersson Date: Fri, 16 Jul 2021 18:23:21 +0200 Subject: [PATCH] Fixed test --- tests/src/main.F90 | 5 ++--- 1 file changed, 2 insertions(+), 3 deletions(-) diff --git a/tests/src/main.F90 b/tests/src/main.F90 index 3ab0354f..530a3093 100644 --- a/tests/src/main.F90 +++ b/tests/src/main.F90 @@ -231,11 +231,10 @@ program main call bml_read_matrix(ham_bml,'hamiltonian_ortho.mtx') call bml_zero_matrix(bml_type,bml_element_real,dp,norb,norb,rho1_bml) - call prg_test_density_matrix(ham_bml,rho1_bml,beta,mu,nocc,1,1e-4_dp,threshold) - write(*,*) mu + mu = 0.2_dp call prg_implicit_fermi_save_inverse(inv_bml,ham_bml,rho_bml,norecs,nocc,mu,beta,1e-4_dp, threshold, 1e-5_dp, 1,occiter) - + call prg_test_density_matrix(ham_bml,rho1_bml,beta,mu,nocc,1,1e-4_dp,threshold) write(*,*) mu call bml_scale(0.5_dp,rho_bml) call bml_add(rho1_bml,rho_bml,1.0_dp,-1.0_dp,threshold)