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Fixed test
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Linnea Andersson committed Jul 16, 2021
1 parent 2ac9f50 commit 02e93a6
Showing 1 changed file with 2 additions and 3 deletions.
5 changes: 2 additions & 3 deletions tests/src/main.F90
Original file line number Diff line number Diff line change
Expand Up @@ -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)
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