Run foss-serial-full: [foss2023a-serial]
Groups
-
01-derivatives_1d.01.inp PASS
01-derivatives_1d.02-fortran.inp PASS
02-derivatives_2d.01.inp PASS
03-derivatives_3d.01.inp PASS
03-derivatives_3d.02-unpacked.inp PASS
03-derivatives_3d.03-45deg_cell.inp PASS
03-derivatives_3d.04-aP.inp PASS
03-derivatives_3d.05-mP.inp PASS
03-derivatives_3d.06-mC.inp PASS
03-derivatives_3d.07-oP.inp PASS
03-derivatives_3d.08-oC.inp PASS
03-derivatives_3d.09-oI.inp PASS
03-derivatives_3d.10-oF.inp PASS
03-derivatives_3d.11-tP.inp PASS
03-derivatives_3d.12-tI.inp PASS
03-derivatives_3d.13-hP.inp PASS
03-derivatives_3d.14-hR.inp PASS
03-derivatives_3d.15-cP.inp PASS
03-derivatives_3d.16-cI.inp PASS
03-derivatives_3d.17-cF.inp PASS
03-derivatives_3d.18-cubestencil-aP.inp PASS
03-derivatives_3d.19-cubestencil-mP.inp PASS
03-derivatives_3d.20-cubestencil-mC.inp PASS
03-derivatives_3d.21-cubestencil-oP.inp PASS
03-derivatives_3d.22-cubestencil-oC.inp PASS
03-derivatives_3d.23-cubestencil-oI.inp PASS
03-derivatives_3d.24-cubestencil-oF.inp PASS
03-derivatives_3d.25-cubestencil-tP.inp PASS
03-derivatives_3d.26-cubestencil-tI.inp PASS
03-derivatives_3d.27-cubestencil-hP.inp PASS
03-derivatives_3d.28-cubestencil-hR.inp PASS
03-derivatives_3d.29-cubestencil-cP.inp PASS
03-derivatives_3d.30-cubestencil-cI.inp PASS
03-derivatives_3d.31-cubestencil-cF.inp PASS
04-hartree_3d_cg.01-cg_corrected.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
06-hartree_3d_isf.01-isf.inp PASS
07-cholesky_serial.01-real.inp PASS
07-cholesky_serial.02-complex.inp PASS
07-cholesky_serial.03-parindep.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
10-hartree_pfft.01-fft.inp PASS
10-hartree_pfft.02-fft_corrected.inp PASS
10-hartree_pfft.03-3d_1d_periodic.inp PASS
10-hartree_pfft.04-3d_3d_periodic.inp PASS
10-hartree_pfft.05-3d_2d_periodic.inp PASS
10-hartree_pfft.06-fft-parstates.inp PASS
11-hartree_cl.01-fft.inp PASS
12-hartree_direct_3d.01.inp PASS
13-hartree_3d_mg.01-multigrid.inp PASS
13-hartree_3d_mg.02-curvilinear.inp PASS
13-hartree_3d_mg.03-w_shape.inp PASS
13-hartree_3d_mg.04-curvilinear_gauss_seidel.inp PASS
14-center-geom.01-run.inp PASS
15-cholesky_parallel.01-real.inp PASS
15-cholesky_parallel.02-complex.inp PASS
16-hartree_3d_psolver.01-psolver.inp PASS
16-hartree_3d_psolver.02-psolver.inp PASS
17-recipe.inp PASS
18-interpolation.01-1d.inp PASS
18-interpolation.02-2d.inp PASS
18-interpolation.03-3d.inp PASS
19-hgh_soc.01-3d.inp PASS
20-dft_u.01-real_mesh.inp PASS
20-dft_u.02-real_submesh.inp PASS
20-dft_u.03-complex_mesh.inp PASS
20-dft_u.04-complex_submesh.inp PASS
20-dft_u.05-real_mesh_unpacked.inp PASS
20-dft_u.06-real_submesh_unpacked.inp PASS
20-dft_u.07-complex_mesh_unpacked.inp PASS
20-dft_u.08-complex_submesh_unpacked.inp PASS
21-hamiltonian_apply.01-Si.inp PASS
22-density_calc.01-Si.inp PASS
23-exponential_apply.01-jellium.inp PASS
24-boundaries.01-jellium.inp PASS
25-subspace.01-jellium.inp PASS
26-batch_ops.01-jellium.inp PASS
26-batch_ops.02-jellium-complex.inp PASS
26-batch_ops.03-jellium-spinor.inp PASS
27-clock.01.inp PASS
28-cgal.01.inp PASS
29-linear_solver.01-real.inp PASS
30-eigensolver.01.inp PASS
31-grid_interpolation.01.inp PASS
32-hash-tables.01-iihash.inp PASS
32-hash-tables.02-sihash.inp PASS
32-hash-tables.03-sphash.inp PASS
33-mpiwrappers.01-wrappers.inp PASS
34-regridding.01-samespacing-mixed.inp PASS
34-regridding.02-samespacing-parstates.inp PASS
34-regridding.03-samespacing-pardomains.inp PASS
34-regridding.04-spacing-ratio3-mixed.inp PASS
34-regridding.05-spacing-ratio3-parstates.inp PASS
34-regridding.06-spacing-ratio3-pardomains.inp PASS
34-regridding.07-spacing-ratio3-nearestneighbor-mixed.inp PASS
34-regridding.08-spacing-ratio3-nearestneighbor-parstates.inp PASS
34-regridding.09-spacing-ratio3-nearestneighbor-pardomains.inp PASS
34-regridding.10-nonorthogonal-aP.inp PASS
34-regridding.11-nonorthogonal-rot45degree.inp PASS
34-regridding.12-curvilinear.inp PASS
34-regridding.13-noncommensurate.inp PASS
34-regridding.14-noncommensurate-nearestneighbor.inp PASS
35-helmholtz_decom.01-large_box_no_surf_corr.inp PASS
35-helmholtz_decom.02-small_box_no_surf_corr.inp PASS
35-helmholtz_decom.03-parallelepiped_small_box_with_surf_corr.inp PASS
35-helmholtz_decom.04-cylinder_small_box_with_surf_corr.inp PASS
35-helmholtz_decom.05-sphere_small_box_with_surf_corr.inp PASS
36-maxwell_vector_potential.inp PASS
37-current-density.inp PASS
38-mixing.01_broyden.inp PASS
38-mixing.02_linear.inp PASS
38-mixing.03_diis.inp PASS
39-optimizers.inp PASS
-
01-hydrogen.01-ground_state.inp PASS
01-hydrogen.02-excited_state.inp PASS
01-hydrogen.03-dummy.inp PASS
01-hydrogen.04-absorbing_boundaries.inp PASS
02-neon_mpi.01-ground_state-IP_par_domains.inp PASS
02-neon_mpi.02-ground_state-kli_par_domains.inp PASS
02-neon_mpi.03-td_calc-kli_par_states.inp PASS
03-He-Hartree-Fock.01-gs.inp PASS
04-lithium.01-ground_state.inp PASS
04-lithium.02-absorbing_boundaries.inp PASS
09-morse.01-gs.inp PASS
09-morse.02-unocc.inp PASS
09-morse.03-td.inp PASS
-
01-quadratic_box.01-ground_state.inp PASS
01-quadratic_box.02-hartree.inp PASS
01-quadratic_box.03-hartree+xc.inp PASS
01-quadratic_box.04-spin_polarized.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
03-helium_atom.01-ground_state.inp PASS
03-helium_atom.02-ground_state.inp PASS
04-biot_savart.01-gs.inp PASS
05-spin_precession.01-ground_state.inp PASS
05-spin_precession.02-time_propagation.inp PASS
06-gdlib.01-gs.inp PASS
07-user_def_box.01-gs.inp PASS
08-constrain.01-gs.inp PASS
08-constrain.02-gs_dir.inp PASS
08-constrain.03-polarized.inp PASS
09-magnetic_2d.01-no_field.inp PASS
09-magnetic_2d.02-gs_gauge_xy.inp PASS
09-magnetic_2d.03-gs_gauge_y.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
02-curvilinear_coordinates.01-gygi.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-ACBN0_isolated.01-H_unpacked.inp PASS
04-ACBN0_isolated.02-H_packed.inp PASS
04-jellium.01-ground_state.inp PASS
05-forces.01-Na2.inp PASS
05-forces.02-Na2_go.inp PASS
05-forces.03-Na2_go_ACBN0.inp PASS
05-output.01-gs-set1.inp PASS
05-output.02-gs.inp PASS
05-output.03-convert.inp PASS
05-output.04-convert-op.inp PASS
06-restart.01-gs_mixrho.inp PASS
06-restart.02-restart_gs_mixrho.inp PASS
06-restart.03-gs_mixvhxc.inp PASS
06-restart.04-restart_gs_mixvhxc.inp PASS
06-restart.05-restart_gs.inp PASS
06-restart.06-td_calc.inp PASS
06-restart.07-restart_td_calc.inp PASS
07-spin_orbit_coupling.01-hgh.inp PASS
07-spin_orbit_coupling.02-rkb.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
09-spinors.01-ground_state.inp PASS
09-spinors.02-rmmdiis.inp PASS
10-fullerene.01-gs.inp PASS
10-intersite.01-Na2.inp PASS
10-intersite.02-silicon.inp PASS
11-full_delta.01-gs.inp PASS
12-forces.01-N2_gs.inp PASS
12-forces.02-N2_gs.inp PASS
12-forces.03-N2_gs.inp PASS
12-intersite_spinors.01-Na2_gs.inp PASS
12-intersite_spinors.02-Na2_td.inp PASS
13-full_potential_hydrogen.01-gs.inp PASS
13-full_potential_hydrogen.02-gs-cg.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
20-eigensolver.01-cg.inp PASS
20-eigensolver.03-plan.inp PASS
20-eigensolver.04-evolution.inp PASS
20-eigensolver.05-rmmdiis.inp PASS
20-eigensolver.06-rmmdiis-noscalapack.inp PASS
20-eigensolver.07-chebyshev.inp PASS
20-eigensolver.08-evolution-chebyshev.inp PASS
22-preconditioner.01-none.inp PASS
22-preconditioner.02-filter.inp PASS
22-preconditioner.03-jacobi.inp PASS
22-preconditioner.04-multigrid.inp PASS
22-preconditioner.05-multigrid_rmmdiis.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
24-o2-spin.01-gs.inp PASS
28-carbon_big_box.01-ground_state.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
30-local_multipoles.01-gs.inp PASS
30-local_multipoles.02-multipoles.inp PASS
30-local_multipoles.03-multipoles_restart.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
33-cg.01-orthogonalize_all.inp PASS
33-cg.02-additional_terms.inp PASS
33-cg.03-cg_direction.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
37-sternheimer_polarized.01-gs.inp PASS
37-sternheimer_polarized.02-em_resp.inp PASS
38-carbon_atom_cgal_box.01-gs.inp PASS
39-adsic.01-unpolarized.inp PASS
39-adsic.02-polarized.inp PASS
40-evo.01-par_domains.inp PASS
40-evo.02-par_states.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
43-gga_spinors.01-H.inp PASS
-
01-xc_1d.01-wfs-lda.inp PASS
01-xc_1d.02-wfs-hf.inp PASS
01-xc_1d.lda_csc.inp PASS
01-xc_1d.oep_exx.inp PASS
01-xc_1d.oep_kli.inp PASS
02-xc_2d.01-hartree.inp PASS
02-xc_2d.02-hf.inp PASS
02-xc_2d.gga_b86.inp PASS
02-xc_2d.gga_b86_mgc.inp PASS
02-xc_2d.gga_b88.inp PASS
02-xc_2d.gga_pbe.inp PASS
02-xc_2d.lda_amgb.inp PASS
02-xc_2d.lda_prm.inp PASS
05-ks_inversion.01-target_density.inp PASS
05-ks_inversion.02-two_particle.inp PASS
05-ks_inversion.03-inversion.inp PASS
05-ks_inversion.04-inv_godby.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
09-vdw_ts_sc.01-gs.inp PASS
11-vdw_d3.01-gs.inp PASS
12-vdw_solid_c6.01-gs_diamond.inp PASS
12-vdw_solid_c6.02-gs_graphene.inp PASS
13-libvdwxc_h2o.01-vdwdfcx.inp PASS
14-libvdwxc_Be_hcp.01-vdwdfcx.inp PASS
15-oep-CG.01-kli.inp PASS
15-oep-CG.02-oep-dens.inp PASS
16-dressed-rdmft.01-ip.inp PASS
16-dressed-rdmft.02-hf.inp PASS
16-dressed-rdmft.03-rdmft.inp PASS
17-oep-photons.01-kli-spinpolarized.inp PASS
17-oep-photons.02-kli.inp PASS
17-oep-photons.03-oep.inp PASS
18-mgga.01-br89.inp PASS
18-mgga.02-br89_oep.inp PASS
18-mgga.03-lda.inp PASS
18-mgga.04-ncbr.inp PASS
18-mgga.05-ncbr_oep.inp PASS
18-mgga.06_nccs.inp PASS
19-qedft-breit-1d.01-etac-px.inp PASS
19-qedft-breit-1d.02-pxlda.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-qedft-breit-3d.01-pxlda-hydrogen.inp PASS
21-qedft-breit-3d.02-pxlda-helium.inp PASS
22-vdw_d3_stress.01-Be_hpc.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
03-ACBN0_restricted.01-lif.inp PASS
03-ACBN0_restricted.02-lif_unpacked.inp PASS
04-ACBN0_isolated.01-H_unpacked.inp PASS
04-ACBN0_isolated.02-H_packed.inp PASS
05-forces.01-Na2.inp PASS
05-forces.02-Na2_go.inp PASS
05-forces.03-Na2_go_ACBN0.inp PASS
06-laser.01-gs.inp PASS
06-laser.02-length_gauge.inp PASS
06-laser.03-velocity_gauge.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
10-intersite.01-Na2.inp PASS
10-intersite.02-silicon.inp PASS
11-full_delta.01-gs.inp PASS
12-intersite_spinors.01-Na2_gs.inp PASS
12-intersite_spinors.02-Na2_td.inp PASS
13-j_dependent.01_O2.inp PASS
13-j_dependent.02_combined_j_orbs.inp PASS
-
02-h2o_pol_lr.01_h2o_gs.inp PASS
02-h2o_pol_lr.02_h2o_dyn_pol.inp PASS
02-h2o_pol_lr.03_h2o_dyn_pol_cmplx.inp PASS
02-h2o_pol_lr.04_h2o_susc.inp PASS
02-h2o_pol_lr.05_h2o_magn_opt.inp PASS
03-vdw_sternheimer.01-ground_state.inp PASS
03-vdw_sternheimer.02-vdw.inp PASS
04-vib_modes.01-ground_state.inp PASS
04-vib_modes.02-vib_modes.inp PASS
04-vib_modes.03-vib_modes_restart.inp PASS
06-vib_modes_fd.01-ground_state.inp PASS
06-vib_modes_fd.01-vib_modes_fd.inp PASS
07-casida-photons.01-gs.inp PASS
07-casida-photons.02-photons.inp PASS
07-casida-photons.03-scalapack.inp PASS
07-casida-photons.04-elpa.inp PASS
07-casida-photons.05-elpa-parother.inp PASS
07-casida-photons.06-spectrum.inp PASS
08-sternheimer-photons.01-gs.inp PASS
08-sternheimer-photons.02-em_resp.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-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-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
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-vdw_sternheimer.01-ground_state.inp PASS
03-vdw_sternheimer.02-vdw.inp PASS
04-biot_savart.01-gs.inp PASS
04-jellium.01-ground_state.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
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
07-noncollinear.01-U5-gs.inp PASS
07-noncollinear.02-acbn0.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
09-basis_from_states.01-lda.inp PASS
09-basis_from_states.02-acbn0.inp PASS
09-basis_from_states.03-intersite.inp PASS
10-fullerene.01-gs.inp PASS
12-hartree_direct_3d.01.inp PASS
12-vdw_solid_c6.01-gs_diamond.inp PASS
12-vdw_solid_c6.02-gs_graphene.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
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-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
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
-
01-free-propagation.01-1_pulse_td.inp PASS
01-free-propagation.02-2_pulses_td.inp PASS
06-circular-polarization.01-1_puse_circ_pol.inp PASS
07-mode-resolved-maxwell-ks-propagation.01-1D-Helium-ground-state.inp PASS
07-mode-resolved-maxwell-ks-propagation.02-kick-of-the-electronic-subsystem.inp PASS
08-restart-maxwell.01-free-propagation_fromscratch.inp PASS
08-restart-maxwell.01-free-propagation_restarted.inp PASS
08-restart-maxwell.02-external-current-pml_fromscratch.inp PASS
08-restart-maxwell.02-external-current-pml_restarted.inp PASS
08-restart-maxwell.03-linear-medium_fromscratch.inp PASS
08-restart-maxwell.03-linear-medium_restarted.inp PASS
14-quadrupole-pot.01-hydrogen-gs.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-ACBN0_restricted.01-lif.inp PASS
03-ACBN0_restricted.02-lif_unpacked.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
-
01-derivatives_1d.01.inp PASS
01-derivatives_1d.02-fortran.inp PASS
01-free-propagation.01-1_pulse_td.inp PASS
01-free-propagation.02-2_pulses_td.inp PASS
01-hydrogen.01-ground_state.inp PASS
01-hydrogen.02-excited_state.inp PASS
01-hydrogen.03-dummy.inp PASS
01-hydrogen.04-absorbing_boundaries.inp PASS
01-quadratic_box.01-ground_state.inp PASS
01-quadratic_box.02-hartree.inp PASS
01-quadratic_box.03-hartree+xc.inp PASS
01-quadratic_box.04-spin_polarized.inp PASS
01-run_mode.01-one_shot.inp PASS
01-xc_1d.01-wfs-lda.inp PASS
01-xc_1d.02-wfs-hf.inp PASS
01-xc_1d.lda_csc.inp PASS
01-xc_1d.oep_exx.inp PASS
01-xc_1d.oep_kli.inp PASS
02-curvilinear_coordinates.01-gygi.inp PASS
02-derivatives_2d.01.inp PASS
02-h2o_pol_lr.01_h2o_gs.inp PASS
02-h2o_pol_lr.02_h2o_dyn_pol.inp PASS
02-h2o_pol_lr.03_h2o_dyn_pol_cmplx.inp PASS
02-h2o_pol_lr.04_h2o_susc.inp PASS
02-h2o_pol_lr.05_h2o_magn_opt.inp PASS
02-neon_mpi.01-ground_state-IP_par_domains.inp PASS
02-neon_mpi.02-ground_state-kli_par_domains.inp PASS
02-neon_mpi.03-td_calc-kli_par_states.inp PASS
02-scf_errors.01-rdmft.inp PASS
02-xc_2d.01-hartree.inp PASS
02-xc_2d.02-hf.inp PASS
02-xc_2d.gga_b86.inp PASS
02-xc_2d.gga_b86_mgc.inp PASS
02-xc_2d.gga_b88.inp PASS
02-xc_2d.gga_pbe.inp PASS
02-xc_2d.lda_amgb.inp PASS
02-xc_2d.lda_prm.inp PASS
03-ACBN0_restricted.01-lif.inp PASS
03-ACBN0_restricted.02-lif_unpacked.inp PASS
03-derivatives_3d.01.inp PASS
03-derivatives_3d.02-unpacked.inp PASS
03-derivatives_3d.03-45deg_cell.inp PASS
03-derivatives_3d.04-aP.inp PASS
03-derivatives_3d.05-mP.inp PASS
03-derivatives_3d.06-mC.inp PASS
03-derivatives_3d.07-oP.inp PASS
03-derivatives_3d.08-oC.inp PASS
03-derivatives_3d.09-oI.inp PASS
03-derivatives_3d.10-oF.inp PASS
03-derivatives_3d.11-tP.inp PASS
03-derivatives_3d.12-tI.inp PASS
03-derivatives_3d.13-hP.inp PASS
03-derivatives_3d.14-hR.inp PASS
03-derivatives_3d.15-cP.inp PASS
03-derivatives_3d.16-cI.inp PASS
03-derivatives_3d.17-cF.inp PASS
03-derivatives_3d.18-cubestencil-aP.inp PASS
03-derivatives_3d.19-cubestencil-mP.inp PASS
03-derivatives_3d.20-cubestencil-mC.inp PASS
03-derivatives_3d.21-cubestencil-oP.inp PASS
03-derivatives_3d.22-cubestencil-oC.inp PASS
03-derivatives_3d.23-cubestencil-oI.inp PASS
03-derivatives_3d.24-cubestencil-oF.inp PASS
03-derivatives_3d.25-cubestencil-tP.inp PASS
03-derivatives_3d.26-cubestencil-tI.inp PASS
03-derivatives_3d.27-cubestencil-hP.inp PASS
03-derivatives_3d.28-cubestencil-hR.inp PASS
03-derivatives_3d.29-cubestencil-cP.inp PASS
03-derivatives_3d.30-cubestencil-cI.inp PASS
03-derivatives_3d.31-cubestencil-cF.inp PASS
03-He-Hartree-Fock.01-gs.inp PASS
03-helium_atom.01-ground_state.inp PASS
03-helium_atom.02-ground_state.inp PASS
04-ACBN0_isolated.01-H_unpacked.inp PASS
04-ACBN0_isolated.02-H_packed.inp PASS
04-hartree_3d_cg.01-cg_corrected.inp PASS
04-lithium.01-ground_state.inp PASS
04-lithium.02-absorbing_boundaries.inp PASS
04-vib_modes.01-ground_state.inp PASS
04-vib_modes.02-vib_modes.inp PASS
04-vib_modes.03-vib_modes_restart.inp PASS
05-forces.01-Na2.inp PASS
05-forces.02-Na2_go.inp PASS
05-forces.03-Na2_go_ACBN0.inp PASS
05-ks_inversion.01-target_density.inp PASS
05-ks_inversion.02-two_particle.inp PASS
05-ks_inversion.03-inversion.inp PASS
05-ks_inversion.04-inv_godby.inp PASS
05-output.01-gs-set1.inp PASS
05-output.02-gs.inp PASS
05-output.03-convert.inp PASS
05-output.04-convert-op.inp PASS
05-spin_precession.01-ground_state.inp PASS
05-spin_precession.02-time_propagation.inp PASS
06-circular-polarization.01-1_puse_circ_pol.inp PASS
06-gdlib.01-gs.inp PASS
06-hartree_3d_isf.01-isf.inp PASS
06-laser.01-gs.inp PASS
06-laser.02-length_gauge.inp PASS
06-laser.03-velocity_gauge.inp PASS
06-restart.01-gs_mixrho.inp PASS
06-restart.02-restart_gs_mixrho.inp PASS
06-restart.03-gs_mixvhxc.inp PASS
06-restart.04-restart_gs_mixvhxc.inp PASS
06-restart.05-restart_gs.inp PASS
06-restart.06-td_calc.inp PASS
06-restart.07-restart_td_calc.inp PASS
07-casida-photons.01-gs.inp PASS
07-casida-photons.02-photons.inp PASS
07-casida-photons.03-scalapack.inp PASS
07-casida-photons.04-elpa.inp PASS
07-casida-photons.05-elpa-parother.inp PASS
07-casida-photons.06-spectrum.inp PASS
07-cholesky_serial.01-real.inp PASS
07-cholesky_serial.02-complex.inp PASS
07-cholesky_serial.03-parindep.inp PASS
07-mode-resolved-maxwell-ks-propagation.01-1D-Helium-ground-state.inp PASS
07-mode-resolved-maxwell-ks-propagation.02-kick-of-the-electronic-subsystem.inp PASS
07-spin_orbit_coupling.01-hgh.inp PASS
07-spin_orbit_coupling.02-rkb.inp PASS
07-user_def_box.01-gs.inp PASS
08-constrain.01-gs.inp PASS
08-constrain.02-gs_dir.inp PASS
08-constrain.03-polarized.inp PASS
08-restart-maxwell.01-free-propagation_fromscratch.inp PASS
08-restart-maxwell.01-free-propagation_restarted.inp PASS
08-restart-maxwell.02-external-current-pml_fromscratch.inp PASS
08-restart-maxwell.02-external-current-pml_restarted.inp PASS
08-restart-maxwell.03-linear-medium_fromscratch.inp PASS
08-restart-maxwell.03-linear-medium_restarted.inp PASS
08-sternheimer-photons.01-gs.inp PASS
08-sternheimer-photons.02-em_resp.inp PASS
09-magnetic_2d.01-no_field.inp PASS
09-magnetic_2d.02-gs_gauge_xy.inp PASS
09-magnetic_2d.03-gs_gauge_y.inp PASS
09-morse.01-gs.inp PASS
09-morse.02-unocc.inp PASS
09-morse.03-td.inp PASS
09-spinors.01-ground_state.inp PASS
09-spinors.02-rmmdiis.inp PASS
09-vdw_ts_sc.01-gs.inp PASS
10-hartree_pfft.01-fft.inp PASS
10-hartree_pfft.02-fft_corrected.inp PASS
10-hartree_pfft.03-3d_1d_periodic.inp PASS
10-hartree_pfft.04-3d_3d_periodic.inp PASS
10-hartree_pfft.05-3d_2d_periodic.inp PASS
10-hartree_pfft.06-fft-parstates.inp PASS
10-intersite.01-Na2.inp PASS
10-intersite.02-silicon.inp PASS
11-full_delta.01-gs.inp PASS
11-hartree_cl.01-fft.inp PASS
11-vdw_d3.01-gs.inp PASS
12-forces.01-N2_gs.inp PASS
12-forces.02-N2_gs.inp PASS
12-forces.03-N2_gs.inp PASS
12-intersite_spinors.01-Na2_gs.inp PASS
12-intersite_spinors.02-Na2_td.inp PASS
13-full_potential_hydrogen.01-gs.inp PASS
13-full_potential_hydrogen.02-gs-cg.inp PASS
13-hartree_3d_mg.01-multigrid.inp PASS
13-hartree_3d_mg.02-curvilinear.inp PASS
13-hartree_3d_mg.03-w_shape.inp PASS
13-hartree_3d_mg.04-curvilinear_gauss_seidel.inp PASS
13-libvdwxc_h2o.01-vdwdfcx.inp PASS
14-center-geom.01-run.inp PASS
14-libvdwxc_Be_hcp.01-vdwdfcx.inp PASS
14-quadrupole-pot.01-hydrogen-gs.inp PASS
15-cholesky_parallel.01-real.inp PASS
15-cholesky_parallel.02-complex.inp PASS
15-oep-CG.01-kli.inp PASS
15-oep-CG.02-oep-dens.inp PASS
16-dressed-rdmft.01-ip.inp PASS
16-dressed-rdmft.02-hf.inp PASS
16-dressed-rdmft.03-rdmft.inp PASS
16-hartree_3d_psolver.01-psolver.inp PASS
16-hartree_3d_psolver.02-psolver.inp PASS
17-oep-photons.01-kli-spinpolarized.inp PASS
17-oep-photons.02-kli.inp PASS
17-oep-photons.03-oep.inp PASS
17-recipe.inp PASS
18-interpolation.01-1d.inp PASS
18-interpolation.02-2d.inp PASS
18-interpolation.03-3d.inp PASS
18-mgga.01-br89.inp PASS
18-mgga.02-br89_oep.inp PASS
18-mgga.03-lda.inp PASS
18-mgga.04-ncbr.inp PASS
18-mgga.05-ncbr_oep.inp PASS
18-mgga.06_nccs.inp PASS
19-hgh_soc.01-3d.inp PASS
19-qedft-breit-1d.01-etac-px.inp PASS
19-qedft-breit-1d.02-pxlda.inp PASS
20-dft_u.01-real_mesh.inp PASS
20-dft_u.02-real_submesh.inp PASS
20-dft_u.03-complex_mesh.inp PASS
20-dft_u.04-complex_submesh.inp PASS
20-dft_u.05-real_mesh_unpacked.inp PASS
20-dft_u.06-real_submesh_unpacked.inp PASS
20-dft_u.07-complex_mesh_unpacked.inp PASS
20-dft_u.08-complex_submesh_unpacked.inp PASS
20-eigensolver.01-cg.inp PASS
20-eigensolver.03-plan.inp PASS
20-eigensolver.04-evolution.inp PASS
20-eigensolver.05-rmmdiis.inp PASS
20-eigensolver.06-rmmdiis-noscalapack.inp PASS
20-eigensolver.07-chebyshev.inp PASS
20-eigensolver.08-evolution-chebyshev.inp PASS
21-hamiltonian_apply.01-Si.inp PASS
21-qedft-breit-3d.01-pxlda-hydrogen.inp PASS
21-qedft-breit-3d.02-pxlda-helium.inp PASS
22-density_calc.01-Si.inp PASS
22-preconditioner.01-none.inp PASS
22-preconditioner.02-filter.inp PASS
22-preconditioner.03-jacobi.inp PASS
22-preconditioner.04-multigrid.inp PASS
22-preconditioner.05-multigrid_rmmdiis.inp PASS
22-vdw_d3_stress.01-Be_hpc.inp PASS
23-exponential_apply.01-jellium.inp PASS
24-boundaries.01-jellium.inp PASS
24-o2-spin.01-gs.inp PASS
25-subspace.01-jellium.inp PASS
26-batch_ops.01-jellium.inp PASS
26-batch_ops.02-jellium-complex.inp PASS
26-batch_ops.03-jellium-spinor.inp PASS
27-clock.01.inp PASS
28-carbon_big_box.01-ground_state.inp PASS
28-cgal.01.inp PASS
29-linear_solver.01-real.inp PASS
30-eigensolver.01.inp PASS
30-local_multipoles.01-gs.inp PASS
30-local_multipoles.02-multipoles.inp PASS
30-local_multipoles.03-multipoles_restart.inp PASS
31-grid_interpolation.01.inp PASS
32-hash-tables.01-iihash.inp PASS
32-hash-tables.02-sihash.inp PASS
32-hash-tables.03-sphash.inp PASS
33-cg.01-orthogonalize_all.inp PASS
33-cg.02-additional_terms.inp PASS
33-cg.03-cg_direction.inp PASS
33-mpiwrappers.01-wrappers.inp PASS
34-regridding.01-samespacing-mixed.inp PASS
34-regridding.02-samespacing-parstates.inp PASS
34-regridding.03-samespacing-pardomains.inp PASS
34-regridding.04-spacing-ratio3-mixed.inp PASS
34-regridding.05-spacing-ratio3-parstates.inp PASS
34-regridding.06-spacing-ratio3-pardomains.inp PASS
34-regridding.07-spacing-ratio3-nearestneighbor-mixed.inp PASS
34-regridding.08-spacing-ratio3-nearestneighbor-parstates.inp PASS
34-regridding.09-spacing-ratio3-nearestneighbor-pardomains.inp PASS
34-regridding.10-nonorthogonal-aP.inp PASS
34-regridding.11-nonorthogonal-rot45degree.inp PASS
34-regridding.12-curvilinear.inp PASS
34-regridding.13-noncommensurate.inp PASS
34-regridding.14-noncommensurate-nearestneighbor.inp PASS
35-helmholtz_decom.01-large_box_no_surf_corr.inp PASS
35-helmholtz_decom.02-small_box_no_surf_corr.inp PASS
35-helmholtz_decom.03-parallelepiped_small_box_with_surf_corr.inp PASS
35-helmholtz_decom.04-cylinder_small_box_with_surf_corr.inp PASS
35-helmholtz_decom.05-sphere_small_box_with_surf_corr.inp PASS
36-maxwell_vector_potential.inp PASS
37-current-density.inp PASS
37-sternheimer_polarized.01-gs.inp PASS
37-sternheimer_polarized.02-em_resp.inp PASS
38-mixing.01_broyden.inp PASS
38-mixing.02_linear.inp PASS
38-mixing.03_diis.inp PASS
39-adsic.01-unpolarized.inp PASS
39-adsic.02-polarized.inp PASS
39-optimizers.inp PASS
40-evo.01-par_domains.inp PASS
40-evo.02-par_states.inp PASS
43-gga_spinors.01-H.inp PASS
Tests
- 03-derivatives_3d.01.inp PASS
- 03-derivatives_3d.02-unpacked.inp PASS
- 03-derivatives_3d.03-45deg_cell.inp PASS
- 03-derivatives_3d.04-aP.inp PASS
- 03-derivatives_3d.05-mP.inp PASS
- 03-derivatives_3d.06-mC.inp PASS
- 03-derivatives_3d.07-oP.inp PASS
- 03-derivatives_3d.08-oC.inp PASS
- 03-derivatives_3d.09-oI.inp PASS
- 03-derivatives_3d.10-oF.inp PASS
- 03-derivatives_3d.11-tP.inp PASS
- 03-derivatives_3d.12-tI.inp PASS
- 03-derivatives_3d.13-hP.inp PASS
- 03-derivatives_3d.14-hR.inp PASS
- 03-derivatives_3d.15-cP.inp PASS
- 03-derivatives_3d.16-cI.inp PASS
- 03-derivatives_3d.17-cF.inp PASS
- 03-derivatives_3d.18-cubestencil-aP.inp PASS
- 03-derivatives_3d.19-cubestencil-mP.inp PASS
- 03-derivatives_3d.20-cubestencil-mC.inp PASS
- 03-derivatives_3d.21-cubestencil-oP.inp PASS
- 03-derivatives_3d.22-cubestencil-oC.inp PASS
- 03-derivatives_3d.23-cubestencil-oI.inp PASS
- 03-derivatives_3d.24-cubestencil-oF.inp PASS
- 03-derivatives_3d.25-cubestencil-tP.inp PASS
- 03-derivatives_3d.26-cubestencil-tI.inp PASS
- 03-derivatives_3d.27-cubestencil-hP.inp PASS
- 03-derivatives_3d.28-cubestencil-hR.inp PASS
- 03-derivatives_3d.29-cubestencil-cP.inp PASS
- 03-derivatives_3d.30-cubestencil-cI.inp PASS
- 03-derivatives_3d.31-cubestencil-cF.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
- 07-cholesky_serial.01-real.inp PASS
- 07-cholesky_serial.02-complex.inp PASS
- 07-cholesky_serial.03-parindep.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
- 10-hartree_pfft.01-fft.inp PASS
- 10-hartree_pfft.02-fft_corrected.inp PASS
- 10-hartree_pfft.03-3d_1d_periodic.inp PASS
- 10-hartree_pfft.04-3d_3d_periodic.inp PASS
- 10-hartree_pfft.05-3d_2d_periodic.inp PASS
- 10-hartree_pfft.06-fft-parstates.inp PASS
- 13-hartree_3d_mg.01-multigrid.inp PASS
- 13-hartree_3d_mg.02-curvilinear.inp PASS
- 13-hartree_3d_mg.03-w_shape.inp PASS
- 13-hartree_3d_mg.04-curvilinear_gauss_seidel.inp PASS
- 17-recipe.inp PASS
- 19-hgh_soc.01-3d.inp PASS
- 20-dft_u.01-real_mesh.inp PASS
- 20-dft_u.02-real_submesh.inp PASS
- 20-dft_u.03-complex_mesh.inp PASS
- 20-dft_u.04-complex_submesh.inp PASS
- 20-dft_u.05-real_mesh_unpacked.inp PASS
- 20-dft_u.06-real_submesh_unpacked.inp PASS
- 20-dft_u.07-complex_mesh_unpacked.inp PASS
- 20-dft_u.08-complex_submesh_unpacked.inp PASS
- 26-batch_ops.01-jellium.inp PASS
- 26-batch_ops.02-jellium-complex.inp PASS
- 26-batch_ops.03-jellium-spinor.inp PASS
- 27-clock.01.inp PASS
- 28-cgal.01.inp PASS
- 32-hash-tables.01-iihash.inp PASS
- 32-hash-tables.02-sihash.inp PASS
- 32-hash-tables.03-sphash.inp PASS
- 34-regridding.01-samespacing-mixed.inp PASS
- 34-regridding.02-samespacing-parstates.inp PASS
- 34-regridding.03-samespacing-pardomains.inp PASS
- 34-regridding.04-spacing-ratio3-mixed.inp PASS
- 34-regridding.05-spacing-ratio3-parstates.inp PASS
- 34-regridding.06-spacing-ratio3-pardomains.inp PASS
- 34-regridding.07-spacing-ratio3-nearestneighbor-mixed.inp PASS
- 34-regridding.08-spacing-ratio3-nearestneighbor-parstates.inp PASS
- 34-regridding.09-spacing-ratio3-nearestneighbor-pardomains.inp PASS
- 34-regridding.10-nonorthogonal-aP.inp PASS
- 34-regridding.11-nonorthogonal-rot45degree.inp PASS
- 34-regridding.12-curvilinear.inp PASS
- 34-regridding.13-noncommensurate.inp PASS
- 34-regridding.14-noncommensurate-nearestneighbor.inp PASS
- 35-helmholtz_decom.01-large_box_no_surf_corr.inp PASS
- 35-helmholtz_decom.02-small_box_no_surf_corr.inp PASS
- 35-helmholtz_decom.03-parallelepiped_small_box_with_surf_corr.inp PASS
- 35-helmholtz_decom.04-cylinder_small_box_with_surf_corr.inp PASS
- 35-helmholtz_decom.05-sphere_small_box_with_surf_corr.inp PASS
- 38-mixing.01_broyden.inp PASS
- 38-mixing.02_linear.inp PASS
- 38-mixing.03_diis.inp PASS
- 39-optimizers.inp PASS
- 01-hydrogen.01-ground_state.inp PASS
- 01-hydrogen.02-excited_state.inp PASS
- 01-hydrogen.03-dummy.inp PASS
- 01-hydrogen.04-absorbing_boundaries.inp PASS
- 02-neon_mpi.01-ground_state-IP_par_domains.inp PASS
- 02-neon_mpi.02-ground_state-kli_par_domains.inp PASS
- 02-neon_mpi.03-td_calc-kli_par_states.inp PASS
- 09-morse.01-gs.inp PASS
- 09-morse.02-unocc.inp PASS
- 09-morse.03-td.inp PASS
- 01-quadratic_box.01-ground_state.inp PASS
- 01-quadratic_box.02-hartree.inp PASS
- 01-quadratic_box.03-hartree+xc.inp PASS
- 01-quadratic_box.04-spin_polarized.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
- 06-gdlib.01-gs.inp PASS
- 09-magnetic_2d.01-no_field.inp PASS
- 09-magnetic_2d.02-gs_gauge_xy.inp PASS
- 09-magnetic_2d.03-gs_gauge_y.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
- 05-output.01-gs-set1.inp PASS
- 05-output.02-gs.inp PASS
- 05-output.03-convert.inp PASS
- 05-output.04-convert-op.inp PASS
- 06-restart.01-gs_mixrho.inp PASS
- 06-restart.02-restart_gs_mixrho.inp PASS
- 06-restart.03-gs_mixvhxc.inp PASS
- 06-restart.04-restart_gs_mixvhxc.inp PASS
- 06-restart.05-restart_gs.inp PASS
- 06-restart.06-td_calc.inp PASS
- 06-restart.07-restart_td_calc.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
- 12-forces.01-N2_gs.inp PASS
- 12-forces.02-N2_gs.inp PASS
- 12-forces.03-N2_gs.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
- 20-eigensolver.01-cg.inp PASS
- 20-eigensolver.03-plan.inp PASS
- 20-eigensolver.04-evolution.inp PASS
- 20-eigensolver.05-rmmdiis.inp PASS
- 20-eigensolver.06-rmmdiis-noscalapack.inp PASS
- 20-eigensolver.07-chebyshev.inp PASS
- 20-eigensolver.08-evolution-chebyshev.inp PASS
- 22-preconditioner.01-none.inp PASS
- 22-preconditioner.02-filter.inp PASS
- 22-preconditioner.03-jacobi.inp PASS
- 22-preconditioner.04-multigrid.inp PASS
- 22-preconditioner.05-multigrid_rmmdiis.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
- 24-o2-spin.01-gs.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
- 30-local_multipoles.01-gs.inp PASS
- 30-local_multipoles.02-multipoles.inp PASS
- 30-local_multipoles.03-multipoles_restart.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
- 33-cg.01-orthogonalize_all.inp PASS
- 33-cg.02-additional_terms.inp PASS
- 33-cg.03-cg_direction.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
- 36-kli_x.01-gs.inp PASS
- 36-kli_x.02-gs_spinors.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
- 01-xc_1d.01-wfs-lda.inp PASS
- 01-xc_1d.02-wfs-hf.inp PASS
- 01-xc_1d.lda_csc.inp PASS
- 01-xc_1d.oep_exx.inp PASS
- 01-xc_1d.oep_kli.inp PASS
- 02-xc_2d.01-hartree.inp PASS
- 02-xc_2d.02-hf.inp PASS
- 02-xc_2d.gga_b86.inp PASS
- 02-xc_2d.gga_b86_mgc.inp PASS
- 02-xc_2d.gga_b88.inp PASS
- 02-xc_2d.gga_pbe.inp PASS
- 02-xc_2d.lda_amgb.inp PASS
- 02-xc_2d.lda_prm.inp PASS
- 05-ks_inversion.01-target_density.inp PASS
- 05-ks_inversion.02-two_particle.inp PASS
- 05-ks_inversion.03-inversion.inp PASS
- 05-ks_inversion.04-inv_godby.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
- 11-vdw_d3.01-gs.inp PASS
- 17-oep-photons.01-kli-spinpolarized.inp PASS
- 17-oep-photons.02-kli.inp PASS
- 17-oep-photons.03-oep.inp PASS
- 18-mgga.01-br89.inp PASS
- 18-mgga.02-br89_oep.inp PASS
- 18-mgga.03-lda.inp PASS
- 18-mgga.04-ncbr.inp PASS
- 18-mgga.05-ncbr_oep.inp PASS
- 18-mgga.06_nccs.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
- 09-basis_from_states.01-lda.inp PASS
- 09-basis_from_states.02-acbn0.inp PASS
- 09-basis_from_states.03-intersite.inp PASS
- 02-h2o_pol_lr.01_h2o_gs.inp PASS
- 02-h2o_pol_lr.02_h2o_dyn_pol.inp PASS
- 02-h2o_pol_lr.03_h2o_dyn_pol_cmplx.inp PASS
- 02-h2o_pol_lr.04_h2o_susc.inp PASS
- 02-h2o_pol_lr.05_h2o_magn_opt.inp PASS
- 04-vib_modes.01-ground_state.inp PASS
- 04-vib_modes.02-vib_modes.inp PASS
- 04-vib_modes.03-vib_modes_restart.inp PASS
- 07-casida-photons.01-gs.inp PASS
- 07-casida-photons.02-photons.inp PASS
- 07-casida-photons.03-scalapack.inp PASS
- 07-casida-photons.04-elpa.inp PASS
- 07-casida-photons.05-elpa-parother.inp PASS
- 07-casida-photons.06-spectrum.inp PASS
- 07-mode-resolved-maxwell-ks-propagation.01-1D-Helium-ground-state.inp PASS
- 07-mode-resolved-maxwell-ks-propagation.02-kick-of-the-electronic-subsystem.inp PASS
- 08-restart-maxwell.01-free-propagation_fromscratch.inp PASS
- 08-restart-maxwell.01-free-propagation_restarted.inp PASS
- 08-restart-maxwell.02-external-current-pml_fromscratch.inp PASS
- 08-restart-maxwell.02-external-current-pml_restarted.inp PASS
- 08-restart-maxwell.03-linear-medium_fromscratch.inp PASS
- 08-restart-maxwell.03-linear-medium_restarted.inp PASS