Run intel_mpi_omp_autotools: [intel2022a-mpi]
Groups
- components PASS
- finite_systems_2d PASS
- finite_systems_3d PASS
- functionals PASS
- lda_u PASS
- linear_response PASS
- long-run PASS
- maxwell PASS
- optimal_control PASS
- periodic_systems PASS
- symmetries PASS
-
05-hartree_3d_fft.01-fft.inp PASS
05-hartree_3d_fft.02-fft_corrected.inp PASS
05-hartree_3d_fft.03-3d_1d_periodic.inp PASS
05-hartree_3d_fft.04-3d_3d_periodic.inp PASS
05-hartree_3d_fft.05-3d_2d_periodic.inp PASS
08-gs.01-cgs_real.inp PASS
08-gs.02-cgs_complex.inp PASS
08-gs.03-mgs_real.inp PASS
08-gs.04-mgs_complex.inp PASS
08-gs.05-drcgs_real.inp PASS
08-gs.06-drcgs_complex.inp PASS
12-hartree_direct_3d.01.inp PASS
-
02-fock-darwin.01-ground_state.inp PASS
02-fock-darwin.02-ground_state.inp PASS
02-fock-darwin.03-ground_state.inp PASS
02-fock-darwin.04-ground_state.inp PASS
02-qd_2e_2d.01-gs.inp PASS
02-qd_2e_2d.02-td.inp PASS
04-biot_savart.01-gs.inp PASS
-
01-carbon_atom.01-psf_l0.inp PASS
01-carbon_atom.02-psf_l1.inp PASS
01-carbon_atom.03-static_field.inp PASS
01-carbon_atom.04-smear.inp PASS
03-magnetic.01-gs-unpolarized.inp PASS
03-magnetic.02-td-unpolarized.inp PASS
03-magnetic.03-gs-polarized.inp PASS
03-magnetic.04-td-polarized.inp PASS
03-magnetic.05-gs-spinors.inp PASS
03-magnetic.06-td-spinors.inp PASS
04-jellium.01-ground_state.inp PASS
08-spin_orbit_coupling_full.01-hgh.inp PASS
08-spin_orbit_coupling_full.02-rkb.inp PASS
08-spin_orbit_coupling_full.03-unocc.inp PASS
10-fullerene.01-gs.inp PASS
13-j_dependent.01_O2.inp PASS
13-j_dependent.02_combined_j_orbs.inp PASS
14-fullerene_unpacked.01-gs.inp PASS
14-fullerene_unpacked.02-td-unpacked.inp PASS
14-fullerene_unpacked.03-td-packed.inp PASS
15-fullerene_stdlcao.01-gs.inp PASS
16-scfinlcao_std.01-gs.inp PASS
17-scfinlcao_alt.01-gs.inp PASS
18-preconditioner_poisson.01-poisson.inp PASS
23-go-na2.01-steep.inp PASS
23-go-na2.02-simplex.inp PASS
23-go-na2.03-fire.inp PASS
23-go-na2.04-fire_restart.inp PASS
23-go-na2.05-constrains.inp PASS
29-pcm_chlorine_anion.01-ground_state-n60.inp PASS
29-pcm_chlorine_anion.02-td_prop-n60.inp PASS
29-pcm_chlorine_anion.03-ground_state-n60-poisson.inp PASS
29-pcm_chlorine_anion.04-ground_state-n240.inp PASS
31-acetylene_b3lyp.01-gs.inp PASS
32-tdpcm_methane.01-ground_state.inp PASS
32-tdpcm_methane.02-td_prop_neq.inp PASS
32-tdpcm_methane.03-td_prop_eom.inp PASS
34-walltime.01-gs_walltime.inp PASS
34-walltime.02-restart_gs.inp PASS
34-walltime.03-td_walltime.inp PASS
34-walltime.04-restart_td.inp PASS
35-slater_x.01-gs.inp PASS
35-slater_x.02-gs_spinors.inp PASS
36-kli_x.01-gs.inp PASS
36-kli_x.02-gs_spinors.inp PASS
38-carbon_atom_cgal_box.01-gs.inp PASS
41-gpu-bug.01-C.inp PASS
42-full_potential_anc.01-gs.inp PASS
42-full_potential_anc.02-sc-zora.inp PASS
42-full_potential_anc.03-sf-zora.inp PASS
42-full_potential_anc.04-fr-zora.inp PASS
42-full_potential_anc.05-zora-error.inp PASS
-
03-xc.01-gs.inp PASS
03-xc.b3lyp_fock.inp PASS
03-xc.b3lyp_oep.inp PASS
03-xc.exx.inp PASS
03-xc.fbex.inp PASS
03-xc.fbex_sl.inp PASS
03-xc.gga_c_am05.inp PASS
03-xc.gga_c_lm.inp PASS
03-xc.gga_c_lyp.inp PASS
03-xc.gga_c_p86.inp PASS
03-xc.gga_c_pbe.inp PASS
03-xc.gga_c_pbe_jrgx.inp PASS
03-xc.gga_c_pbe_sol.inp PASS
03-xc.gga_c_pw91.inp PASS
03-xc.gga_c_xpbe.inp PASS
03-xc.gga_x_am05.inp PASS
03-xc.gga_x_b86.inp PASS
03-xc.gga_x_b86_mgc.inp PASS
03-xc.gga_x_b88.inp PASS
03-xc.gga_x_bayesian.inp PASS
03-xc.gga_xc_b97_d.inp PASS
03-xc.gga_xc_edf1.inp PASS
03-xc.gga_xc_hcth_120.inp PASS
03-xc.gga_xc_hcth_147.inp PASS
03-xc.gga_xc_hcth_407.inp PASS
03-xc.gga_xc_hcth_93.inp PASS
03-xc.gga_xc_mpwlyp1w.inp PASS
03-xc.gga_xc_pbe1w.inp PASS
03-xc.gga_xc_pbelyp1w.inp PASS
03-xc.gga_xc_xlyp.inp PASS
03-xc.gga_x_dk87_r1.inp PASS
03-xc.gga_x_dk87_r2.inp PASS
03-xc.gga_x_ft97_a.inp PASS
03-xc.gga_x_ft97_b.inp PASS
03-xc.gga_x_g96.inp PASS
03-xc.gga_x_lb.inp PASS
03-xc.gga_x_lg93.inp PASS
03-xc.gga_x_mpbe.inp PASS
03-xc.gga_x_mpw91.inp PASS
03-xc.gga_x_optb88_vdw.inp PASS
03-xc.gga_x_optpbe_vdw.inp PASS
03-xc.gga_x_optx.inp PASS
03-xc.gga_x_pbea.inp PASS
03-xc.gga_x_pbe.inp PASS
03-xc.gga_x_pbe_jsjr.inp PASS
03-xc.gga_x_pbek1_vdw.inp PASS
03-xc.gga_x_pbe_r.inp PASS
03-xc.gga_x_pbe_sol.inp PASS
03-xc.gga_x_pw86.inp PASS
03-xc.gga_x_pw91.inp PASS
03-xc.gga_x_rpbe.inp PASS
03-xc.gga_x_wc.inp PASS
03-xc.gga_x_xpbe.inp PASS
03-xc.kli.inp PASS
03-xc.lda_c_fbe.inp PASS
03-xc.lda_c_gl.inp PASS
03-xc.lda_c_hl.inp PASS
03-xc.lda_c_ob_pw.inp PASS
03-xc.lda_c_ob_pz.inp PASS
03-xc.lda_c_pw.inp PASS
03-xc.lda_c_pw_mod.inp PASS
03-xc.lda_c_pz.inp PASS
03-xc.lda_c_pz_mod.inp PASS
03-xc.lda_c_rpa.inp PASS
03-xc.lda_c_vbh.inp PASS
03-xc.lda_c_vwn.inp PASS
03-xc.lda_c_vwn_rpa.inp PASS
03-xc.lda_c_wigner.inp PASS
03-xc.lda_c_xalpha.inp PASS
03-xc.lda_xc_teter93.inp PASS
03-xc.lda_x.inp PASS
03-xc.mvorb_hse06_fock.inp PASS
03-xc.pbe0_fock.inp PASS
03-xc.pbe0_oep.inp PASS
03-xc.sic_pz.inp PASS
03-xc.slater.inp PASS
04-oep.01-jellium-lsda.inp PASS
04-oep.02-jellium-exx_kli.inp PASS
04-oep.03-jellium-full_exx.inp PASS
06-rdmft.01-ip.inp PASS
06-rdmft.02-gs_basis.inp PASS
06-rdmft.03-gs_grid.inp PASS
07-sic.01-gs.inp PASS
07-sic.02-scdm.inp PASS
08-vdw_ts.01-gs.inp PASS
10-vdw_d3_dna.01-gs_novdw.inp PASS
10-vdw_d3_dna.02-gs_d3.inp PASS
12-vdw_solid_c6.01-gs_diamond.inp PASS
12-vdw_solid_c6.02-gs_graphene.inp PASS
20-qedft-breit-2d.01-etac-px.inp PASS
20-qedft-breit-2d.02-pxlda-weak.inp PASS
20-qedft-breit-2d.03-pxlda-strong.inp PASS
23-xc_lrx.inp PASS
-
01-nio.01-U5-gs.inp PASS
01-nio.02-unocc.inp PASS
02-ACBN0.01-nio.inp PASS
02-ACBN0.02-lif.inp PASS
07-noncollinear.01-U5-gs.inp PASS
07-noncollinear.02-acbn0.inp PASS
08-loewdin.01-Si.inp PASS
08-loewdin.02-intersite.inp PASS
08-loewdin.03-intersite_domains.inp PASS
09-basis_from_states.01-lda.inp PASS
09-basis_from_states.02-acbn0.inp PASS
09-basis_from_states.03-intersite.inp PASS
13-j_dependent.01_O2.inp PASS
13-j_dependent.02_combined_j_orbs.inp PASS
-
01-casida.01-gs.inp PASS
01-casida.02-vib_modes.inp PASS
01-casida.03-unocc.inp PASS
01-casida.04-unocc_restart.inp PASS
01-casida.05-casida.inp PASS
01-casida.06-casida_scalapack.inp PASS
01-casida.07-casida_elpa.inp PASS
01-casida.08-casida_restart.inp PASS
01-casida.09-spectrum.inp PASS
03-vdw_sternheimer.01-ground_state.inp PASS
03-vdw_sternheimer.02-vdw.inp PASS
05-polarizability.01-gs.inp PASS
05-polarizability.02-sternheimer.inp PASS
05-polarizability.03-finite-diff.inp PASS
06-vib_modes_fd.01-ground_state.inp PASS
06-vib_modes_fd.01-vib_modes_fd.inp PASS
-
01-carbon_atom.01-psf_l0.inp PASS
01-carbon_atom.02-psf_l1.inp PASS
01-carbon_atom.03-static_field.inp PASS
01-carbon_atom.04-smear.inp PASS
01-casida.01-gs.inp PASS
01-casida.02-vib_modes.inp PASS
01-casida.03-unocc.inp PASS
01-casida.04-unocc_restart.inp PASS
01-casida.05-casida.inp PASS
01-casida.06-casida_scalapack.inp PASS
01-casida.07-casida_elpa.inp PASS
01-casida.08-casida_restart.inp PASS
01-casida.09-spectrum.inp PASS
01-nio.01-U5-gs.inp PASS
01-nio.02-unocc.inp PASS
02-ACBN0.01-nio.inp PASS
02-ACBN0.02-lif.inp PASS
02-external-current.01-gaussian_current_pulse.inp PASS
02-external-current.02-gaussian_current_pulse_with_pml.inp PASS
02-external-current.03-gaussian_current_pulse_with_mask.inp PASS
02-external-current.04-gaussian_current_pml_modified_speed_of_light.inp PASS
02-external-current.05-gaussian_current_pulse_lanczos.inp PASS
02-fock-darwin.01-ground_state.inp PASS
02-fock-darwin.02-ground_state.inp PASS
02-fock-darwin.03-ground_state.inp PASS
02-fock-darwin.04-ground_state.inp PASS
02-qd_2e_2d.01-gs.inp PASS
02-qd_2e_2d.02-td.inp PASS
02-sym_doublewell.01-ground_state.inp PASS
02-sym_doublewell.02-unocc.inp PASS
02-sym_doublewell.03-oct.inp PASS
03-linear-medium.01-cosinoidal_pulse_td.inp PASS
03-linear-medium.02-cosinoidal_pulse_td_pml.inp PASS
03-linear-medium.03-cosinoidal_pulse_td_pml_unpacked.inp PASS
03-localtarget.01-gs.inp PASS
03-localtarget.02-oct.inp PASS
03-localtarget.03-tdoct.inp PASS
03-localtarget.04-gs-mp.inp PASS
03-localtarget.05-oct-mp.inp PASS
03-magnetic.01-gs-unpolarized.inp PASS
03-magnetic.02-td-unpolarized.inp PASS
03-magnetic.03-gs-polarized.inp PASS
03-magnetic.04-td-polarized.inp PASS
03-magnetic.05-gs-spinors.inp PASS
03-magnetic.06-td-spinors.inp PASS
03-sodium_chain.01-ground_state.inp PASS
03-sodium_chain.02-unocc.inp PASS
03-sodium_chain.03-ground_state_disp.inp PASS
03-sodium_chain.04-unocc_disp.inp PASS
03-vdw_sternheimer.01-ground_state.inp PASS
03-vdw_sternheimer.02-vdw.inp PASS
03-xc.01-gs.inp PASS
03-xc.b3lyp_fock.inp PASS
03-xc.b3lyp_oep.inp PASS
03-xc.exx.inp PASS
03-xc.fbex.inp PASS
03-xc.fbex_sl.inp PASS
03-xc.gga_c_am05.inp PASS
03-xc.gga_c_lm.inp PASS
03-xc.gga_c_lyp.inp PASS
03-xc.gga_c_p86.inp PASS
03-xc.gga_c_pbe.inp PASS
03-xc.gga_c_pbe_jrgx.inp PASS
03-xc.gga_c_pbe_sol.inp PASS
03-xc.gga_c_pw91.inp PASS
03-xc.gga_c_xpbe.inp PASS
03-xc.gga_x_am05.inp PASS
03-xc.gga_x_b86.inp PASS
03-xc.gga_x_b86_mgc.inp PASS
03-xc.gga_x_b88.inp PASS
03-xc.gga_x_bayesian.inp PASS
03-xc.gga_xc_b97_d.inp PASS
03-xc.gga_xc_edf1.inp PASS
03-xc.gga_xc_hcth_120.inp PASS
03-xc.gga_xc_hcth_147.inp PASS
03-xc.gga_xc_hcth_407.inp PASS
03-xc.gga_xc_hcth_93.inp PASS
03-xc.gga_xc_mpwlyp1w.inp PASS
03-xc.gga_xc_pbe1w.inp PASS
03-xc.gga_xc_pbelyp1w.inp PASS
03-xc.gga_xc_xlyp.inp PASS
03-xc.gga_x_dk87_r1.inp PASS
03-xc.gga_x_dk87_r2.inp PASS
03-xc.gga_x_ft97_a.inp PASS
03-xc.gga_x_ft97_b.inp PASS
03-xc.gga_x_g96.inp PASS
03-xc.gga_x_lb.inp PASS
03-xc.gga_x_lg93.inp PASS
03-xc.gga_x_mpbe.inp PASS
03-xc.gga_x_mpw91.inp PASS
03-xc.gga_x_optb88_vdw.inp PASS
03-xc.gga_x_optpbe_vdw.inp PASS
03-xc.gga_x_optx.inp PASS
03-xc.gga_x_pbea.inp PASS
03-xc.gga_x_pbe.inp PASS
03-xc.gga_x_pbe_jsjr.inp PASS
03-xc.gga_x_pbek1_vdw.inp PASS
03-xc.gga_x_pbe_r.inp PASS
03-xc.gga_x_pbe_sol.inp PASS
03-xc.gga_x_pw86.inp PASS
03-xc.gga_x_pw91.inp PASS
03-xc.gga_x_rpbe.inp PASS
03-xc.gga_x_wc.inp PASS
03-xc.gga_x_xpbe.inp PASS
03-xc.kli.inp PASS
03-xc.lda_c_fbe.inp PASS
03-xc.lda_c_gl.inp PASS
03-xc.lda_c_hl.inp PASS
03-xc.lda_c_ob_pw.inp PASS
03-xc.lda_c_ob_pz.inp PASS
03-xc.lda_c_pw.inp PASS
03-xc.lda_c_pw_mod.inp PASS
03-xc.lda_c_pz.inp PASS
03-xc.lda_c_pz_mod.inp PASS
03-xc.lda_c_rpa.inp PASS
03-xc.lda_c_vbh.inp PASS
03-xc.lda_c_vwn.inp PASS
03-xc.lda_c_vwn_rpa.inp PASS
03-xc.lda_c_wigner.inp PASS
03-xc.lda_c_xalpha.inp PASS
03-xc.lda_xc_teter93.inp PASS
03-xc.lda_x.inp PASS
03-xc.mvorb_hse06_fock.inp PASS
03-xc.pbe0_fock.inp PASS
03-xc.pbe0_oep.inp PASS
03-xc.sic_pz.inp PASS
03-xc.slater.inp PASS
04-biot_savart.01-gs.inp PASS
04-box.01-ground_state.inp PASS
04-box.01-ground_state.inp PASS
04-box.02-unocc.inp PASS
04-box.02-unocc.inp PASS
04-box.03-oct_long.inp PASS
04-box.04-oct_long.inp PASS
04-box.05-oct_long.inp PASS
04-box.06-oct_long.inp PASS
04-box.07-oct_long.inp PASS
04-box.08-oct_long.inp PASS
04-jellium.01-ground_state.inp PASS
04-linear-medium-from-file.01-cube_medium_from_file.inp PASS
04-oep.01-jellium-lsda.inp PASS
04-oep.02-jellium-exx_kli.inp PASS
04-oep.03-jellium-full_exx.inp PASS
04-silicon.01-gs.inp PASS
04-silicon.02-kdotp.inp PASS
04-silicon.03-emresp.inp PASS
04-silicon.05-emresp_magn.inp PASS
05-adw.01-ground_state.inp PASS
05-adw.02-unocc.inp PASS
05-adw.03-filter_fixed.inp PASS
05-adw.04-filter_indirect.inp PASS
05-hartree_3d_fft.01-fft.inp PASS
05-hartree_3d_fft.02-fft_corrected.inp PASS
05-hartree_3d_fft.03-3d_1d_periodic.inp PASS
05-hartree_3d_fft.04-3d_3d_periodic.inp PASS
05-hartree_3d_fft.05-3d_2d_periodic.inp PASS
05-plane_waves.01-pulse_pml.inp PASS
05-polarizability.01-gs.inp PASS
05-polarizability.02-sternheimer.inp PASS
05-polarizability.03-finite-diff.inp PASS
06-h2o_pol_lr.01_gs.inp PASS
06-h2o_pol_lr.02_kdotp.inp PASS
06-h2o_pol_lr.03_emresp.inp PASS
06-h2o_pol_lr.04_emresp_mo.inp PASS
06-h2o_pol_lr.05_emresp_susc.inp PASS
06-rdmft.01-ip.inp PASS
06-rdmft.02-gs_basis.inp PASS
06-rdmft.03-gs_grid.inp PASS
06-vib_modes_fd.01-ground_state.inp PASS
06-vib_modes_fd.01-vib_modes_fd.inp PASS
06-zbr98.01-ground_state.inp PASS
06-zbr98.02-oct.inp PASS
07-mgga.01-tb09_gs_symm.inp PASS
07-mgga.02-tb09_gs_nosymm.inp PASS
07-mgga.03-tb09_td.inp PASS
07-mgga.04-br89_gs.inp PASS
07-mgga.05-br89_primitive.inp PASS
07-noncollinear.01-U5-gs.inp PASS
07-noncollinear.02-acbn0.inp PASS
07-qoct+tddft.01-ground_state.inp PASS
07-qoct+tddft.02-oct.inp PASS
07-sic.01-gs.inp PASS
07-sic.02-scdm.inp PASS
08-gs.01-cgs_real.inp PASS
08-gs.02-cgs_complex.inp PASS
08-gs.03-mgs_real.inp PASS
08-gs.04-mgs_complex.inp PASS
08-gs.05-drcgs_real.inp PASS
08-gs.06-drcgs_complex.inp PASS
08-loewdin.01-Si.inp PASS
08-loewdin.02-intersite.inp PASS
08-loewdin.03-intersite_domains.inp PASS
08-spin_orbit_coupling_full.01-hgh.inp PASS
08-spin_orbit_coupling_full.02-rkb.inp PASS
08-spin_orbit_coupling_full.03-unocc.inp PASS
08-vdw_ts.01-gs.inp PASS
08-velocities.01-ground_state.inp PASS
08-velocities.02-oct.inp PASS
09-basis_from_states.01-lda.inp PASS
09-basis_from_states.02-acbn0.inp PASS
09-basis_from_states.03-intersite.inp PASS
09-density+current.01-ground_state.inp PASS
09-density+current.02-oct.inp PASS
09-density+current.03-tdoct.inp PASS
09-drude-medium-from-file.01-gold-np.inp PASS
09-drude-medium-from-file.02-gold-np-part-one.inp PASS
09-drude-medium-from-file.03-gold-np-part-two.inp PASS
09-drude-medium-from-file.04-gold-np-external-source.inp PASS
09-drude-medium-from-file.05-gold-np-envelope-from-expression.inp PASS
09-etsf_io.01-gs.inp PASS
10-berkeleygw.01-gs.inp PASS
10-berkeleygw.02-unocc.inp PASS
10-current.01-ground_state.inp PASS
10-current.02-oct.inp PASS
10-current-to-maxwell.01-all-forces-non-self-consistent.inp PASS
10-fullerene.01-gs.inp PASS
10-vdw_d3_dna.01-gs_novdw.inp PASS
10-vdw_d3_dna.02-gs_d3.inp PASS
11-leapfrog.01-fullrun.inp PASS
11-leapfrog.02-pml_fullrun.inp PASS
11-leapfrog.03-pml_medium_fullrun.inp PASS
11-leapfrog.04-pml_medium_restart_part1.inp PASS
11-leapfrog.05-pml_medium_restart_part2.inp PASS
12-hartree_direct_3d.01.inp PASS
12-spintarget.01-ground_state.inp PASS
12-spintarget.02-oct.inp PASS
12-tddft-currents-to-maxwell.01-benzene-gs.inp PASS
12-tddft-currents-to-maxwell.02-benzene-mxll-td-length-gauge.inp PASS
12-tddft-currents-to-maxwell.03-benzene-mxll-td-veloc-gauge.inp PASS
12-tddft-currents-to-maxwell.04-benzene-mxll-td-full-min-coup.inp PASS
12-tddft-currents-to-maxwell.05-benzene-extsource-td-veloc-gauge.inp PASS
12-tddft-currents-to-maxwell.06-benzene-dipole-and-quadrupole.inp PASS
12-vdw_solid_c6.01-gs_diamond.inp PASS
12-vdw_solid_c6.02-gs_graphene.inp PASS
13-box-nlopt.03-bobyqa.inp PASS
13-box-nlopt.04-lbfgs.inp PASS
13-extsource-bessel.01-carbon-gs.inp PASS
13-extsource-bessel.02-carbon-td.inp PASS
13-extsource-bessel.03-enveloped-shifted-bessel.inp PASS
13-j_dependent.01_O2.inp PASS
13-j_dependent.02_combined_j_orbs.inp PASS
13-primitive.01-diamond.inp PASS
13-primitive.02-graphene.inp PASS
13-primitive.03-bcc_iron.inp PASS
14-fullerene_unpacked.01-gs.inp PASS
14-fullerene_unpacked.02-td-unpacked.inp PASS
14-fullerene_unpacked.03-td-packed.inp PASS
14-silicon_shifts.01-gs.inp PASS
14-silicon_shifts.02-td.inp PASS
14-silicon_shifts.03-td_parstates.inp PASS
14-silicon_shifts.04-delayed_kick.inp PASS
14-silicon_shifts.05-dielectric_function.inp PASS
15-bandstructure.01-gs.inp PASS
15-bandstructure.02-unocc.inp PASS
15-bandstructure.03-wannier90_setup.inp PASS
15-bandstructure.04-wannier90_output.inp PASS
15-bandstructure.05-wannier90_states.inp PASS
15-expgauss.01-exp_gauss2_taylor.inp PASS
15-expgauss.02-exp_gauss2_lanczos.inp PASS
15-expgauss.03-exp_gauss2_chebyshev.inp PASS
15-expgauss.04-exp_gauss1_pml_medium.inp PASS
15-fullerene_stdlcao.01-gs.inp PASS
16-scfinlcao_std.01-gs.inp PASS
16-sodium_chain_cylinder.01-ground_state.inp PASS
16-sodium_chain_cylinder.02-unocc.inp PASS
16-sodium_chain_cylinder.03-ground_state_disp.inp PASS
16-sodium_chain_cylinder.04-unocc_disp.inp PASS
17-aluminium.01-gs.inp PASS
17-aluminium.02-td.inp PASS
17-aluminium.03-conductivity.inp PASS
17-scfinlcao_alt.01-gs.inp PASS
18-preconditioner_poisson.01-poisson.inp PASS
18-TiO2.01-gs.inp PASS
18-TiO2.02-gs_kerker.inp PASS
19-unfolding.01-gs.inp PASS
19-unfolding.02-setup.inp PASS
19-unfolding.03-unocc.inp PASS
19-unfolding.04-run.inp PASS
20-masked_periodic_boundaries.01-graphene.inp PASS
20-qedft-breit-2d.01-etac-px.inp PASS
20-qedft-breit-2d.02-pxlda-weak.inp PASS
20-qedft-breit-2d.03-pxlda-strong.inp PASS
21-magnon.01-gs.inp PASS
21-magnon.02-td.inp PASS
21-magnon.03-susceptibility.inp PASS
22-berry.01-cubic_Si_gs.inp PASS
22-berry.02-cubic_Si.inp PASS
23-go-na2.01-steep.inp PASS
23-go-na2.02-simplex.inp PASS
23-go-na2.03-fire.inp PASS
23-go-na2.04-fire_restart.inp PASS
23-go-na2.05-constrains.inp PASS
23-xc_lrx.inp PASS
25-Fe_polarized.01-gs.inp PASS
25-Fe_polarized.02-setup.inp PASS
25-Fe_polarized.03-unocc.inp PASS
25-Fe_polarized.04-unfold.inp PASS
28-mgga_kli.01-Si_scan.inp PASS
29-pcm_chlorine_anion.01-ground_state-n60.inp PASS
29-pcm_chlorine_anion.02-td_prop-n60.inp PASS
29-pcm_chlorine_anion.03-ground_state-n60-poisson.inp PASS
29-pcm_chlorine_anion.04-ground_state-n240.inp PASS
29-soc_solids.01-gs.inp PASS
31-acetylene_b3lyp.01-gs.inp PASS
32-tdpcm_methane.01-ground_state.inp PASS
32-tdpcm_methane.02-td_prop_neq.inp PASS
32-tdpcm_methane.03-td_prop_eom.inp PASS
34-walltime.01-gs_walltime.inp PASS
34-walltime.02-restart_gs.inp PASS
34-walltime.03-td_walltime.inp PASS
34-walltime.04-restart_td.inp PASS
35-slater_x.01-gs.inp PASS
35-slater_x.02-gs_spinors.inp PASS
36-kli_x.01-gs.inp PASS
36-kli_x.02-gs_spinors.inp PASS
38-carbon_atom_cgal_box.01-gs.inp PASS
41-gpu-bug.01-C.inp PASS
42-full_potential_anc.01-gs.inp PASS
42-full_potential_anc.02-sc-zora.inp PASS
42-full_potential_anc.03-sf-zora.inp PASS
42-full_potential_anc.04-fr-zora.inp PASS
42-full_potential_anc.05-zora-error.inp PASS
-
02-external-current.01-gaussian_current_pulse.inp PASS
02-external-current.02-gaussian_current_pulse_with_pml.inp PASS
02-external-current.03-gaussian_current_pulse_with_mask.inp PASS
02-external-current.04-gaussian_current_pml_modified_speed_of_light.inp PASS
02-external-current.05-gaussian_current_pulse_lanczos.inp PASS
03-linear-medium.01-cosinoidal_pulse_td.inp PASS
03-linear-medium.02-cosinoidal_pulse_td_pml.inp PASS
03-linear-medium.03-cosinoidal_pulse_td_pml_unpacked.inp PASS
04-linear-medium-from-file.01-cube_medium_from_file.inp PASS
05-plane_waves.01-pulse_pml.inp PASS
09-drude-medium-from-file.01-gold-np.inp PASS
09-drude-medium-from-file.02-gold-np-part-one.inp PASS
09-drude-medium-from-file.03-gold-np-part-two.inp PASS
09-drude-medium-from-file.04-gold-np-external-source.inp PASS
09-drude-medium-from-file.05-gold-np-envelope-from-expression.inp PASS
10-current-to-maxwell.01-all-forces-non-self-consistent.inp PASS
11-leapfrog.01-fullrun.inp PASS
11-leapfrog.02-pml_fullrun.inp PASS
11-leapfrog.03-pml_medium_fullrun.inp PASS
11-leapfrog.04-pml_medium_restart_part1.inp PASS
11-leapfrog.05-pml_medium_restart_part2.inp PASS
12-tddft-currents-to-maxwell.01-benzene-gs.inp PASS
12-tddft-currents-to-maxwell.02-benzene-mxll-td-length-gauge.inp PASS
12-tddft-currents-to-maxwell.03-benzene-mxll-td-veloc-gauge.inp PASS
12-tddft-currents-to-maxwell.04-benzene-mxll-td-full-min-coup.inp PASS
12-tddft-currents-to-maxwell.05-benzene-extsource-td-veloc-gauge.inp PASS
12-tddft-currents-to-maxwell.06-benzene-dipole-and-quadrupole.inp PASS
13-extsource-bessel.01-carbon-gs.inp PASS
13-extsource-bessel.02-carbon-td.inp PASS
13-extsource-bessel.03-enveloped-shifted-bessel.inp PASS
15-expgauss.01-exp_gauss2_taylor.inp PASS
15-expgauss.02-exp_gauss2_lanczos.inp PASS
15-expgauss.03-exp_gauss2_chebyshev.inp PASS
15-expgauss.04-exp_gauss1_pml_medium.inp PASS
-
02-sym_doublewell.01-ground_state.inp PASS
02-sym_doublewell.02-unocc.inp PASS
02-sym_doublewell.03-oct.inp PASS
03-localtarget.01-gs.inp PASS
03-localtarget.02-oct.inp PASS
03-localtarget.03-tdoct.inp PASS
03-localtarget.04-gs-mp.inp PASS
03-localtarget.05-oct-mp.inp PASS
04-box.01-ground_state.inp PASS
04-box.01-ground_state.inp PASS
04-box.02-unocc.inp PASS
04-box.02-unocc.inp PASS
04-box.03-oct_long.inp PASS
04-box.04-oct_long.inp PASS
04-box.05-oct_long.inp PASS
04-box.06-oct_long.inp PASS
04-box.07-oct_long.inp PASS
04-box.08-oct_long.inp PASS
05-adw.01-ground_state.inp PASS
05-adw.02-unocc.inp PASS
05-adw.03-filter_fixed.inp PASS
05-adw.04-filter_indirect.inp PASS
06-zbr98.01-ground_state.inp PASS
06-zbr98.02-oct.inp PASS
07-qoct+tddft.01-ground_state.inp PASS
07-qoct+tddft.02-oct.inp PASS
08-velocities.01-ground_state.inp PASS
08-velocities.02-oct.inp PASS
09-density+current.01-ground_state.inp PASS
09-density+current.02-oct.inp PASS
09-density+current.03-tdoct.inp PASS
10-current.01-ground_state.inp PASS
10-current.02-oct.inp PASS
12-spintarget.01-ground_state.inp PASS
12-spintarget.02-oct.inp PASS
13-box-nlopt.03-bobyqa.inp PASS
13-box-nlopt.04-lbfgs.inp PASS
-
01-nio.01-U5-gs.inp PASS
01-nio.02-unocc.inp PASS
02-ACBN0.01-nio.inp PASS
02-ACBN0.02-lif.inp PASS
03-sodium_chain.01-ground_state.inp PASS
03-sodium_chain.02-unocc.inp PASS
03-sodium_chain.03-ground_state_disp.inp PASS
03-sodium_chain.04-unocc_disp.inp PASS
04-silicon.01-gs.inp PASS
04-silicon.02-kdotp.inp PASS
04-silicon.03-emresp.inp PASS
04-silicon.05-emresp_magn.inp PASS
06-h2o_pol_lr.01_gs.inp PASS
06-h2o_pol_lr.02_kdotp.inp PASS
06-h2o_pol_lr.03_emresp.inp PASS
06-h2o_pol_lr.04_emresp_mo.inp PASS
06-h2o_pol_lr.05_emresp_susc.inp PASS
07-mgga.01-tb09_gs_symm.inp PASS
07-mgga.02-tb09_gs_nosymm.inp PASS
07-mgga.03-tb09_td.inp PASS
07-mgga.04-br89_gs.inp PASS
07-mgga.05-br89_primitive.inp PASS
07-noncollinear.01-U5-gs.inp PASS
07-noncollinear.02-acbn0.inp PASS
08-loewdin.01-Si.inp PASS
08-loewdin.02-intersite.inp PASS
08-loewdin.03-intersite_domains.inp PASS
09-basis_from_states.01-lda.inp PASS
09-basis_from_states.02-acbn0.inp PASS
09-basis_from_states.03-intersite.inp PASS
09-etsf_io.01-gs.inp PASS
10-berkeleygw.01-gs.inp PASS
10-berkeleygw.02-unocc.inp PASS
13-primitive.01-diamond.inp PASS
13-primitive.02-graphene.inp PASS
13-primitive.03-bcc_iron.inp PASS
14-silicon_shifts.01-gs.inp PASS
14-silicon_shifts.02-td.inp PASS
14-silicon_shifts.03-td_parstates.inp PASS
14-silicon_shifts.04-delayed_kick.inp PASS
14-silicon_shifts.05-dielectric_function.inp PASS
15-bandstructure.01-gs.inp PASS
15-bandstructure.02-unocc.inp PASS
15-bandstructure.03-wannier90_setup.inp PASS
15-bandstructure.04-wannier90_output.inp PASS
15-bandstructure.05-wannier90_states.inp PASS
16-sodium_chain_cylinder.01-ground_state.inp PASS
16-sodium_chain_cylinder.02-unocc.inp PASS
16-sodium_chain_cylinder.03-ground_state_disp.inp PASS
16-sodium_chain_cylinder.04-unocc_disp.inp PASS
17-aluminium.01-gs.inp PASS
17-aluminium.02-td.inp PASS
17-aluminium.03-conductivity.inp PASS
18-TiO2.01-gs.inp PASS
18-TiO2.02-gs_kerker.inp PASS
19-unfolding.01-gs.inp PASS
19-unfolding.02-setup.inp PASS
19-unfolding.03-unocc.inp PASS
19-unfolding.04-run.inp PASS
20-masked_periodic_boundaries.01-graphene.inp PASS
21-magnon.01-gs.inp PASS
21-magnon.02-td.inp PASS
21-magnon.03-susceptibility.inp PASS
22-berry.01-cubic_Si_gs.inp PASS
22-berry.02-cubic_Si.inp PASS
25-Fe_polarized.01-gs.inp PASS
25-Fe_polarized.02-setup.inp PASS
25-Fe_polarized.03-unocc.inp PASS
25-Fe_polarized.04-unfold.inp PASS
28-mgga_kli.01-Si_scan.inp PASS
29-soc_solids.01-gs.inp PASS
Tests
- components/05-hartree_3d_fft.test PASS
- 05-hartree_3d_fft.01-fft.inp PASS
- 05-hartree_3d_fft.02-fft_corrected.inp PASS
- 05-hartree_3d_fft.03-3d_1d_periodic.inp PASS
- 05-hartree_3d_fft.04-3d_3d_periodic.inp PASS
- 05-hartree_3d_fft.05-3d_2d_periodic.inp PASS
- components/08-gs.test PASS
- 08-gs.01-cgs_real.inp PASS
- 08-gs.02-cgs_complex.inp PASS
- 08-gs.03-mgs_real.inp PASS
- 08-gs.04-mgs_complex.inp PASS
- 08-gs.05-drcgs_real.inp PASS
- 08-gs.06-drcgs_complex.inp PASS
- components/12-hartree_direct_3d.test PASS
- finite_systems_2d/02-fock-darwin.test PASS
- 02-fock-darwin.01-ground_state.inp PASS
- 02-fock-darwin.02-ground_state.inp PASS
- 02-fock-darwin.03-ground_state.inp PASS
- 02-fock-darwin.04-ground_state.inp PASS
- finite_systems_2d/04-biot_savart.test PASS
- finite_systems_3d/01-carbon_atom.test PASS
- 01-carbon_atom.01-psf_l0.inp PASS
- 01-carbon_atom.02-psf_l1.inp PASS
- 01-carbon_atom.03-static_field.inp PASS
- 01-carbon_atom.04-smear.inp PASS
- finite_systems_3d/03-magnetic.test PASS
- 03-magnetic.01-gs-unpolarized.inp PASS
- 03-magnetic.02-td-unpolarized.inp PASS
- 03-magnetic.03-gs-polarized.inp PASS
- 03-magnetic.04-td-polarized.inp PASS
- 03-magnetic.05-gs-spinors.inp PASS
- 03-magnetic.06-td-spinors.inp PASS
- finite_systems_3d/04-jellium.test PASS
- finite_systems_3d/08-spin_orbit_coupling_full.test PASS
- 08-spin_orbit_coupling_full.01-hgh.inp PASS
- 08-spin_orbit_coupling_full.02-rkb.inp PASS
- 08-spin_orbit_coupling_full.03-unocc.inp PASS
- finite_systems_3d/10-fullerene.test PASS
- finite_systems_3d/14-fullerene_unpacked.test PASS
- 14-fullerene_unpacked.01-gs.inp PASS
- 14-fullerene_unpacked.02-td-unpacked.inp PASS
- 14-fullerene_unpacked.03-td-packed.inp PASS
- finite_systems_3d/15-fullerene_stdlcao.test PASS
- finite_systems_3d/16-scfinlcao_std.test PASS
- finite_systems_3d/17-scfinlcao_alt.test PASS
- finite_systems_3d/18-preconditioner_poisson.test PASS
- finite_systems_3d/23-go-na2.test PASS
- 23-go-na2.01-steep.inp PASS
- 23-go-na2.02-simplex.inp PASS
- 23-go-na2.03-fire.inp PASS
- 23-go-na2.04-fire_restart.inp PASS
- 23-go-na2.05-constrains.inp PASS
- finite_systems_3d/29-pcm_chlorine_anion.test PASS
- 29-pcm_chlorine_anion.01-ground_state-n60.inp PASS
- 29-pcm_chlorine_anion.02-td_prop-n60.inp PASS
- 29-pcm_chlorine_anion.03-ground_state-n60-poisson.inp PASS
- 29-pcm_chlorine_anion.04-ground_state-n240.inp PASS
- finite_systems_3d/31-acetylene_b3lyp.test PASS
- finite_systems_3d/32-tdpcm_methane.test PASS
- 32-tdpcm_methane.01-ground_state.inp PASS
- 32-tdpcm_methane.02-td_prop_neq.inp PASS
- 32-tdpcm_methane.03-td_prop_eom.inp PASS
- finite_systems_3d/34-walltime.test PASS
- 34-walltime.01-gs_walltime.inp PASS
- 34-walltime.02-restart_gs.inp PASS
- 34-walltime.03-td_walltime.inp PASS
- 34-walltime.04-restart_td.inp PASS
- finite_systems_3d/35-slater_x.test PASS
- finite_systems_3d/36-kli_x.test PASS
- 36-kli_x.01-gs.inp PASS
- 36-kli_x.02-gs_spinors.inp PASS
- finite_systems_3d/38-carbon_atom_cgal_box.test PASS
- finite_systems_3d/41-gpu-bug.test PASS
- 41-gpu-bug.01-C.inp PASS
- finite_systems_3d/42-full_potential_anc.test PASS
- 42-full_potential_anc.01-gs.inp PASS
- 42-full_potential_anc.02-sc-zora.inp PASS
- 42-full_potential_anc.03-sf-zora.inp PASS
- 42-full_potential_anc.04-fr-zora.inp PASS
- 42-full_potential_anc.05-zora-error.inp PASS
- functionals/03-xc.test PASS
- 03-xc.01-gs.inp PASS
- 03-xc.b3lyp_fock.inp PASS
- 03-xc.b3lyp_oep.inp PASS
- 03-xc.exx.inp PASS
- 03-xc.fbex.inp PASS
- 03-xc.fbex_sl.inp PASS
- 03-xc.gga_c_am05.inp PASS
- 03-xc.gga_c_lm.inp PASS
- 03-xc.gga_c_lyp.inp PASS
- 03-xc.gga_c_p86.inp PASS
- 03-xc.gga_c_pbe.inp PASS
- 03-xc.gga_c_pbe_jrgx.inp PASS
- 03-xc.gga_c_pbe_sol.inp PASS
- 03-xc.gga_c_pw91.inp PASS
- 03-xc.gga_c_xpbe.inp PASS
- 03-xc.gga_x_am05.inp PASS
- 03-xc.gga_x_b86.inp PASS
- 03-xc.gga_x_b86_mgc.inp PASS
- 03-xc.gga_x_b88.inp PASS
- 03-xc.gga_x_bayesian.inp PASS
- 03-xc.gga_x_dk87_r1.inp PASS
- 03-xc.gga_x_dk87_r2.inp PASS
- 03-xc.gga_x_ft97_a.inp PASS
- 03-xc.gga_x_ft97_b.inp PASS
- 03-xc.gga_x_g96.inp PASS
- 03-xc.gga_x_lb.inp PASS
- 03-xc.gga_x_lg93.inp PASS
- 03-xc.gga_x_mpbe.inp PASS
- 03-xc.gga_x_mpw91.inp PASS
- 03-xc.gga_x_optb88_vdw.inp PASS
- 03-xc.gga_x_optpbe_vdw.inp PASS
- 03-xc.gga_x_optx.inp PASS
- 03-xc.gga_x_pbe.inp PASS
- 03-xc.gga_x_pbe_jsjr.inp PASS
- 03-xc.gga_x_pbe_r.inp PASS
- 03-xc.gga_x_pbe_sol.inp PASS
- 03-xc.gga_x_pbea.inp PASS
- 03-xc.gga_x_pbek1_vdw.inp PASS
- 03-xc.gga_x_pw86.inp PASS
- 03-xc.gga_x_pw91.inp PASS
- 03-xc.gga_x_rpbe.inp PASS
- 03-xc.gga_x_wc.inp PASS
- 03-xc.gga_x_xpbe.inp PASS
- 03-xc.gga_xc_b97_d.inp PASS
- 03-xc.gga_xc_edf1.inp PASS
- 03-xc.gga_xc_hcth_120.inp PASS
- 03-xc.gga_xc_hcth_147.inp PASS
- 03-xc.gga_xc_hcth_407.inp PASS
- 03-xc.gga_xc_hcth_93.inp PASS
- 03-xc.gga_xc_mpwlyp1w.inp PASS
- 03-xc.gga_xc_pbe1w.inp PASS
- 03-xc.gga_xc_pbelyp1w.inp PASS
- 03-xc.gga_xc_xlyp.inp PASS
- 03-xc.kli.inp PASS
- 03-xc.lda_c_fbe.inp PASS
- 03-xc.lda_c_gl.inp PASS
- 03-xc.lda_c_hl.inp PASS
- 03-xc.lda_c_ob_pw.inp PASS
- 03-xc.lda_c_ob_pz.inp PASS
- 03-xc.lda_c_pw.inp PASS
- 03-xc.lda_c_pw_mod.inp PASS
- 03-xc.lda_c_pz.inp PASS
- 03-xc.lda_c_pz_mod.inp PASS
- 03-xc.lda_c_rpa.inp PASS
- 03-xc.lda_c_vbh.inp PASS
- 03-xc.lda_c_vwn.inp PASS
- 03-xc.lda_c_vwn_rpa.inp PASS
- 03-xc.lda_c_wigner.inp PASS
- 03-xc.lda_c_xalpha.inp PASS
- 03-xc.lda_x.inp PASS
- 03-xc.lda_xc_teter93.inp PASS
- 03-xc.mvorb_hse06_fock.inp PASS
- 03-xc.pbe0_fock.inp PASS
- 03-xc.pbe0_oep.inp PASS
- 03-xc.sic_pz.inp PASS
- 03-xc.slater.inp PASS
- functionals/04-oep.test PASS
- 04-oep.01-jellium-lsda.inp PASS
- 04-oep.02-jellium-exx_kli.inp PASS
- 04-oep.03-jellium-full_exx.inp PASS
- functionals/06-rdmft.test PASS
- 06-rdmft.01-ip.inp PASS
- 06-rdmft.02-gs_basis.inp PASS
- 06-rdmft.03-gs_grid.inp PASS
- functionals/07-sic.test PASS
- 07-sic.01-gs.inp PASS
- 07-sic.02-scdm.inp PASS
- functionals/08-vdw_ts.test PASS
- 08-vdw_ts.01-gs.inp PASS
- functionals/10-vdw_d3_dna.test PASS
- functionals/12-vdw_solid_c6.test PASS
- functionals/20-qedft-breit-2d.test PASS
- 20-qedft-breit-2d.01-etac-px.inp PASS
- 20-qedft-breit-2d.02-pxlda-weak.inp PASS
- 20-qedft-breit-2d.03-pxlda-strong.inp PASS
- functionals/23-xc_lrx.test PASS
- 23-xc_lrx.inp PASS
- lda_u/01-nio.test PASS
- 01-nio.01-U5-gs.inp PASS
- 01-nio.02-unocc.inp PASS
- lda_u/02-ACBN0.test PASS
- 02-ACBN0.01-nio.inp PASS
- 02-ACBN0.02-lif.inp PASS
- lda_u/07-noncollinear.test PASS
- lda_u/08-loewdin.test PASS
- lda_u/09-basis_from_states.test PASS
- 09-basis_from_states.01-lda.inp PASS
- 09-basis_from_states.02-acbn0.inp PASS
- 09-basis_from_states.03-intersite.inp PASS
- lda_u/13-j_dependent.test PASS
- linear_response/01-casida.test PASS
- 01-casida.01-gs.inp PASS
- 01-casida.02-vib_modes.inp PASS
- 01-casida.03-unocc.inp PASS
- 01-casida.04-unocc_restart.inp PASS
- 01-casida.05-casida.inp PASS
- 01-casida.06-casida_scalapack.inp PASS
- 01-casida.07-casida_elpa.inp PASS
- 01-casida.08-casida_restart.inp PASS
- 01-casida.09-spectrum.inp PASS
- linear_response/03-vdw_sternheimer.test PASS
- linear_response/05-polarizability.test PASS
- 05-polarizability.01-gs.inp PASS
- 05-polarizability.02-sternheimer.inp PASS
- 05-polarizability.03-finite-diff.inp PASS
- linear_response/06-vib_modes_fd.test PASS
- maxwell/02-external-current.test PASS
- 02-external-current.01-gaussian_current_pulse.inp PASS
- 02-external-current.02-gaussian_current_pulse_with_pml.inp PASS
- 02-external-current.03-gaussian_current_pulse_with_mask.inp PASS
- 02-external-current.04-gaussian_current_pml_modified_speed_of_light.inp PASS
- 02-external-current.05-gaussian_current_pulse_lanczos.inp PASS
- maxwell/03-linear-medium.test PASS
- 03-linear-medium.01-cosinoidal_pulse_td.inp PASS
- 03-linear-medium.02-cosinoidal_pulse_td_pml.inp PASS
- 03-linear-medium.03-cosinoidal_pulse_td_pml_unpacked.inp PASS
- maxwell/04-linear-medium-from-file.test PASS
- maxwell/05-plane_waves.test PASS
- maxwell/09-drude-medium-from-file.test PASS
- 09-drude-medium-from-file.01-gold-np.inp PASS
- 09-drude-medium-from-file.02-gold-np-part-one.inp PASS
- 09-drude-medium-from-file.03-gold-np-part-two.inp PASS
- 09-drude-medium-from-file.04-gold-np-external-source.inp PASS
- 09-drude-medium-from-file.05-gold-np-envelope-from-expression.inp PASS
- maxwell/10-current-to-maxwell.test PASS
- maxwell/11-leapfrog.test PASS
- 11-leapfrog.01-fullrun.inp PASS
- 11-leapfrog.02-pml_fullrun.inp PASS
- 11-leapfrog.03-pml_medium_fullrun.inp PASS
- 11-leapfrog.04-pml_medium_restart_part1.inp PASS
- 11-leapfrog.05-pml_medium_restart_part2.inp PASS
- maxwell/12-tddft-currents-to-maxwell.test PASS
- 12-tddft-currents-to-maxwell.01-benzene-gs.inp PASS
- 12-tddft-currents-to-maxwell.02-benzene-mxll-td-length-gauge.inp PASS
- 12-tddft-currents-to-maxwell.03-benzene-mxll-td-veloc-gauge.inp PASS
- 12-tddft-currents-to-maxwell.04-benzene-mxll-td-full-min-coup.inp PASS
- 12-tddft-currents-to-maxwell.05-benzene-extsource-td-veloc-gauge.inp PASS
- 12-tddft-currents-to-maxwell.06-benzene-dipole-and-quadrupole.inp PASS
- maxwell/13-extsource-bessel.test PASS
- 13-extsource-bessel.01-carbon-gs.inp PASS
- 13-extsource-bessel.02-carbon-td.inp PASS
- 13-extsource-bessel.03-enveloped-shifted-bessel.inp PASS
- maxwell/15-expgauss.test PASS
- 15-expgauss.01-exp_gauss2_taylor.inp PASS
- 15-expgauss.02-exp_gauss2_lanczos.inp PASS
- 15-expgauss.03-exp_gauss2_chebyshev.inp PASS
- 15-expgauss.04-exp_gauss1_pml_medium.inp PASS
- modelmb/02-qd_2e_2d.test PASS
- 02-qd_2e_2d.01-gs.inp PASS
- 02-qd_2e_2d.02-td.inp PASS
- optimal_control/02-sym_doublewell.test PASS
- 02-sym_doublewell.01-ground_state.inp PASS
- 02-sym_doublewell.02-unocc.inp PASS
- 02-sym_doublewell.03-oct.inp PASS
- optimal_control/03-localtarget.test PASS
- 03-localtarget.01-gs.inp PASS
- 03-localtarget.02-oct.inp PASS
- 03-localtarget.03-tdoct.inp PASS
- 03-localtarget.04-gs-mp.inp PASS
- 03-localtarget.05-oct-mp.inp PASS
- optimal_control/04-box.test PASS
- 04-box.01-ground_state.inp PASS
- 04-box.02-unocc.inp PASS
- 04-box.03-oct_long.inp PASS
- 04-box.04-oct_long.inp PASS
- 04-box.05-oct_long.inp PASS
- 04-box.06-oct_long.inp PASS
- 04-box.07-oct_long.inp PASS
- 04-box.08-oct_long.inp PASS
- optimal_control/05-adw.test PASS
- 05-adw.01-ground_state.inp PASS
- 05-adw.02-unocc.inp PASS
- 05-adw.03-filter_fixed.inp PASS
- 05-adw.04-filter_indirect.inp PASS
- optimal_control/06-zbr98.test PASS
- optimal_control/07-qoct+tddft.test PASS
- optimal_control/08-velocities.test PASS
- optimal_control/09-density+current.test PASS
- 09-density+current.01-ground_state.inp PASS
- 09-density+current.02-oct.inp PASS
- 09-density+current.03-tdoct.inp PASS
- optimal_control/10-current.test PASS
- optimal_control/12-spintarget.test PASS
- optimal_control/13-box-nlopt.test PASS
- 04-box.01-ground_state.inp PASS
- 04-box.02-unocc.inp PASS
- 13-box-nlopt.03-bobyqa.inp PASS
- 13-box-nlopt.04-lbfgs.inp PASS
- periodic_systems/03-sodium_chain.test PASS
- 03-sodium_chain.01-ground_state.inp PASS
- 03-sodium_chain.02-unocc.inp PASS
- 03-sodium_chain.03-ground_state_disp.inp PASS
- 03-sodium_chain.04-unocc_disp.inp PASS
- periodic_systems/04-silicon.test PASS
- 04-silicon.01-gs.inp PASS
- 04-silicon.02-kdotp.inp PASS
- 04-silicon.03-emresp.inp PASS
- 04-silicon.05-emresp_magn.inp PASS
- periodic_systems/06-h2o_pol_lr.test PASS
- 06-h2o_pol_lr.01_gs.inp PASS
- 06-h2o_pol_lr.02_kdotp.inp PASS
- 06-h2o_pol_lr.03_emresp.inp PASS
- 06-h2o_pol_lr.04_emresp_mo.inp PASS
- 06-h2o_pol_lr.05_emresp_susc.inp PASS
- periodic_systems/07-mgga.test PASS
- 07-mgga.01-tb09_gs_symm.inp PASS
- 07-mgga.02-tb09_gs_nosymm.inp PASS
- 07-mgga.03-tb09_td.inp PASS
- 07-mgga.04-br89_gs.inp PASS
- 07-mgga.05-br89_primitive.inp PASS
- periodic_systems/09-etsf_io.test PASS
- 09-etsf_io.01-gs.inp PASS
- periodic_systems/10-berkeleygw.test PASS
- periodic_systems/13-primitive.test PASS
- 13-primitive.01-diamond.inp PASS
- 13-primitive.02-graphene.inp PASS
- 13-primitive.03-bcc_iron.inp PASS
- periodic_systems/14-silicon_shifts.test PASS
- 14-silicon_shifts.01-gs.inp PASS
- 14-silicon_shifts.02-td.inp PASS
- 14-silicon_shifts.03-td_parstates.inp PASS
- 14-silicon_shifts.04-delayed_kick.inp PASS
- 14-silicon_shifts.05-dielectric_function.inp PASS
- periodic_systems/15-bandstructure.test PASS
- 15-bandstructure.01-gs.inp PASS
- 15-bandstructure.02-unocc.inp PASS
- 15-bandstructure.03-wannier90_setup.inp PASS
- 15-bandstructure.04-wannier90_output.inp PASS
- 15-bandstructure.05-wannier90_states.inp PASS
- periodic_systems/16-sodium_chain_cylinder.test PASS
- 16-sodium_chain_cylinder.01-ground_state.inp PASS
- 16-sodium_chain_cylinder.02-unocc.inp PASS
- 16-sodium_chain_cylinder.03-ground_state_disp.inp PASS
- 16-sodium_chain_cylinder.04-unocc_disp.inp PASS
- periodic_systems/17-aluminium.test PASS
- periodic_systems/18-TiO2.test PASS
- 18-TiO2.01-gs.inp PASS
- 18-TiO2.02-gs_kerker.inp PASS
- periodic_systems/19-unfolding.test PASS
- 19-unfolding.01-gs.inp PASS
- 19-unfolding.02-setup.inp PASS
- 19-unfolding.03-unocc.inp PASS
- 19-unfolding.04-run.inp PASS
- periodic_systems/20-masked_periodic_boundaries.test PASS
- periodic_systems/21-magnon.test PASS
- periodic_systems/22-berry.test PASS
- periodic_systems/25-Fe_polarized.test PASS
- 25-Fe_polarized.01-gs.inp PASS
- 25-Fe_polarized.02-setup.inp PASS
- 25-Fe_polarized.03-unocc.inp PASS
- 25-Fe_polarized.04-unfold.inp PASS
- periodic_systems/28-mgga_kli.test PASS
- periodic_systems/29-soc_solids.test PASS