Run foss_valgrind_autotools: [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-non-orthogonal.inp PASS
03-derivatives_3d.02-non-orthogonal_unpacked.inp PASS
03-derivatives_3d.03-45deg_cell.inp PASS
04-hartree_3d_cg.01-cg_corrected.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
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
13-hartree_3d_mg.01-multigrid.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
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
-
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-cosh_2e_1d.01-gs.inp PASS
01-cosh_2e_1d.02-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
03-helium_atom.01-ground_state.inp PASS
03-helium_atom.02-ground_state.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
-
02-curvilinear_coordinates.01-gygi.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
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
09-spinors.01-ground_state.inp PASS
09-spinors.02-rmmdiis.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
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
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
24-o2-spin.01-gs.inp PASS
28-carbon_big_box.01-ground_state.inp PASS
30-local_multipoles.01-gs.inp PASS
30-local_multipoles.02-multipoles.inp PASS
30-local_multipoles.03-multipoles_restart.inp PASS
33-cg.01-orthogonalize_all.inp PASS
33-cg.02-additional_terms.inp PASS
33-cg.03-cg_direction.inp PASS
37-sternheimer_polarized.01-gs.inp PASS
37-sternheimer_polarized.02-em_resp.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
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
09-vdw_ts_sc.01-gs.inp PASS
11-vdw_d3.01-gs.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
19-qedft-breit-1d.01-etac-px.inp PASS
19-qedft-breit-1d.02-pxlda.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
-
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
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
-
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
08-sternheimer-photons.01-gs.inp PASS
08-sternheimer-photons.02-em_resp.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-nested_systems.01-two_levels.inp PASS
01-nested_systems.02-three_levels.inp PASS
01-nested_systems.03-four_levels.inp PASS
02-interaction_graph.01-three_body.inp PASS
03-interactions_creation.01-case1.inp PASS
03-interactions_creation.02-case2.inp PASS
03-interactions_creation.03-case3.inp PASS
03-interactions_creation.04-case4.inp PASS
04-propagation_verlet.01-two_body.inp PASS
04-propagation_verlet.02-three_body.inp PASS
04-propagation_verlet.03-two_body_different_time_steps.inp PASS
04-propagation_verlet.04-three_body_different_time_steps.inp PASS
05-propagation_beeman.01-two_body.inp PASS
05-propagation_beeman.02-three_body.inp PASS
05-propagation_beeman.03-two_body_different_time_steps.inp PASS
05-propagation_beeman.04-three_body_different_time_steps.inp PASS
06-propagation_expmid.01-two_body.inp PASS
06-propagation_expmid.02-three_body.inp PASS
06-propagation_expmid.03-two_body_different_time_steps.inp PASS
06-propagation_expmid.04-three_body_different_time_steps.inp PASS
06-propagation_expmid.05-two_body_verlet_half.inp PASS
06-propagation_expmid.06-two_body_verlet.inp PASS
07-lorentz-force.01-charged_particle_coupled_to_maxwell.inp PASS
07-lorentz-force.02-charged_particle_in_static_efield.inp PASS
07-lorentz-force.03-charged_particle_illegal_propagator.inp PASS
08-coulomb_force.01-classical_helium.inp PASS
09-illegal_system_names.01-duplicated.inp PASS
09-illegal_system_names.02-empty.inp PASS
09-illegal_system_names.03-illegal_character.inp PASS
09-illegal_system_names.04-white_space.inp PASS
10-dftbplus_verlet.01-water.inp PASS
11-dftbplus_ehrenfest.01-benzene.inp PASS
13-restart_verlet.01-restart-run-part1.inp PASS
13-restart_verlet.02-restart-run-part2.inp PASS
13-restart_verlet.03-full-run.inp PASS
14-lennard-jones.01-classical-particles-N2.inp PASS
17-lasers.01-length_gauge.inp PASS
18-incompatible_timing.01-run.inp PASS
-
01-asym_doublewell.01-ground_state.inp PASS
01-asym_doublewell.02-unocc.inp PASS
01-asym_doublewell.03-oct_run.inp PASS
01-asym_doublewell.04-oct_run.inp PASS
01-asym_doublewell.05-oct_run.inp PASS
11-classical.01-ground_state.inp PASS
11-classical.02-oct.inp PASS
11-classical.03-oct_taylor.inp PASS
-
01-free_electrons.01-ground_state.inp PASS
01-free_electrons.02-unocc.inp PASS
02-cosine_potential.01-ground_state.inp PASS
02-cosine_potential.02-unocc.inp PASS
03-ACBN0_restricted.01-lif.inp PASS
03-ACBN0_restricted.02-lif_unpacked.inp PASS
05-lithium.01-gs.inp PASS
05-lithium.02-td.inp PASS
05-lithium.03-td-restart.inp PASS
05-lithium.04-dielectric_function.inp PASS
05-lithium.05-tdtdm.inp PASS
08-benzene_supercell.01-gs.inp PASS
11-silicon_force.01-gs.inp PASS
11-silicon_force.02-nlcc.inp PASS
11-silicon_force.03-nosym.inp PASS
12-boron_nitride.01-gs.inp PASS
12-boron_nitride.02-gs_gamma.inp PASS
23-hybrids.01-ace.inp PASS
23-hybrids.02-ace_accel.inp PASS
23-hybrids.03-Si_pbe0.inp PASS
23-hybrids.04-parstates.inp PASS
24-hartree_fock_1D.01-gs.inp PASS
26-Na.01-gs.inp PASS
26-Na.02-kdotp.inp PASS
30-stress.02-gamma_point.inp PASS
30-stress.03-par_kpoints.inp PASS
30-stress.04-kpoint_sym.inp PASS
30-stress.05-output_scf.inp PASS
31-magnon_1d.01-gs.inp PASS
31-magnon_1d.02-td.inp PASS
32-photodoping.01-gs.inp PASS
-
01-h1d_lin.01-mask.inp PASS
01-h1d_lin.02-ba.inp PASS
02-restart.01-ba.inp PASS
02-restart.02-restart_ba.inp PASS
03-h1d_ati.01.inp PASS
04-nfft.01-ba.inp PASS
07-flux_1d.01-h1d_lin.inp PASS
07-flux_1d.02-h1d_ati.inp PASS
10-spm_1d.h1d_lin.inp PASS
-
01-sg15-h.01-gs.inp PASS
03-nlcc.01-Fatom.inp PASS
06-carbon_dojo_pbe.01-gs.inp PASS
10-helium_upf.01-gs_nofilter.inp PASS
10-helium_upf.02-gs_filter_ts.inp PASS
10-helium_upf.03-gs_filter_bsb.inp PASS
11-isotopes.01-deuterium.inp PASS
11-isotopes.02-tritium.inp PASS
12-mix_and_match.01-mgo.inp PASS
15-calcium_psp8_sic.01-gs.inp PASS
16-platinum_psp8.01-gs.inp PASS
-
01-propagators.01-gs.inp PASS
01-propagators.02-expmid.inp PASS
01-propagators.03-etrs_taylor.inp PASS
01-propagators.04-etrs_lanczos.inp PASS
01-propagators.05-etrs_chebyshev.inp PASS
01-propagators.06-aetrs.inp PASS
01-propagators.07-caetrs.inp PASS
01-propagators.08-cn.inp PASS
01-propagators.09-magnus.inp PASS
01-propagators.10-exprk4.inp PASS
01-propagators.11-cfmagnus4.inp PASS
02-propagators.01-gs.inp PASS
02-propagators.02-cnsparskit.inp PASS
02-propagators.03-rungekutta2.inp PASS
02-propagators.04-rungekutta4.inp PASS
03-td_self_consistent.01-gs.inp PASS
03-td_self_consistent.02-etrs.inp PASS
06-caetrs.01-gs.inp PASS
06-caetrs.02-kick.inp PASS
06-caetrs.03-kick-tp1.inp PASS
06-caetrs.04-kick-tp2.inp PASS
06-laser.01-gs.inp PASS
06-laser.02-length_gauge.inp PASS
06-laser.03-velocity_gauge.inp PASS
08-laser.01-ground_state.inp PASS
08-laser.02-length_gauge.inp PASS
08-laser.03-velocity_gauge.inp PASS
08-laser.04-velocity_gauge_cheby.inp PASS
08-laser.05-forces.inp PASS
10-bomd.01-gs.inp PASS
10-bomd.02-td.inp PASS
10-bomd.03-td_restart.inp PASS
10-bomd.04-xyz-anim.inp PASS
12-absorption.01-gs.inp PASS
12-absorption.02-td.inp PASS
12-absorption.03-td-restart.inp PASS
12-absorption.04-spectrum.inp PASS
12-absorption.05-spectrum_compressed_sensing.inp PASS
12-absorption.06-power_spectrum.inp PASS
12-absorption.07-spectrum_cosine.inp PASS
12-absorption.08-spectrum_exp.inp PASS
12-electronic_subsystem_propagators.01-gs.inp PASS
12-electronic_subsystem_propagators.02-expmid.inp PASS
12-electronic_subsystem_propagators.03-aetrs.inp PASS
15-crank_nicolson.01-gs.inp PASS
15-crank_nicolson.02-kick.inp PASS
15-crank_nicolson.03-freeze_domains.inp PASS
15-crank_nicolson.04-freeze_states.inp PASS
15-crank_nicolson.05-freeze_sae.inp PASS
15-electronic_system_restart.01-gs.inp PASS
15-electronic_system_restart.02-td_full.inp PASS
15-electronic_system_restart.03-td_restart_part1.inp PASS
15-electronic_system_restart.04-td_restart_part2.inp PASS
16-bomd.01-gs.inp PASS
16-bomd.02-td.inp PASS
16-sparskit.01-gs.inp PASS
16-sparskit.02-kick.inp PASS
17-absorption-spin_symmetry.01-gs.inp PASS
17-absorption-spin_symmetry.02-td.inp PASS
17-absorption-spin_symmetry.03-spectrum.inp PASS
18-hhg.01-gs.inp PASS
18-hhg.02-td.inp PASS
18-hhg.03-hs.inp PASS
21-scissor.01-gs.inp PASS
21-scissor.02-td.inp PASS
21-scissor.03-spectrum.inp PASS
23-td_qedft_breit_pxlda_adiabatic.01-gs.inp PASS
23-td_qedft_breit_pxlda_adiabatic.02-td.inp PASS
23-td_qedft_breit_pxlda_adiabatic.03-td_restart.inp PASS
24-adsic_freeze_orbitals.01-gs.inp PASS
24-adsic_freeze_orbitals.02-td.inp PASS
-
01-asym_doublewell.01-ground_state.inp PASS
01-asym_doublewell.02-unocc.inp PASS
01-asym_doublewell.03-oct_run.inp PASS
01-asym_doublewell.04-oct_run.inp PASS
01-asym_doublewell.05-oct_run.inp PASS
01-cosh_2e_1d.01-gs.inp PASS
01-cosh_2e_1d.02-td.inp PASS
01-derivatives_1d.01.inp PASS
01-derivatives_1d.02-fortran.inp PASS
01-free_electrons.01-ground_state.inp PASS
01-free_electrons.02-unocc.inp PASS
01-free-propagation.01-1_pulse_td.inp PASS
01-free-propagation.02-2_pulses_td.inp PASS
01-h1d_lin.01-mask.inp PASS
01-h1d_lin.02-ba.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-nested_systems.01-two_levels.inp PASS
01-nested_systems.02-three_levels.inp PASS
01-nested_systems.03-four_levels.inp PASS
01-propagators.01-gs.inp PASS
01-propagators.02-expmid.inp PASS
01-propagators.03-etrs_taylor.inp PASS
01-propagators.04-etrs_lanczos.inp PASS
01-propagators.05-etrs_chebyshev.inp PASS
01-propagators.06-aetrs.inp PASS
01-propagators.07-caetrs.inp PASS
01-propagators.08-cn.inp PASS
01-propagators.09-magnus.inp PASS
01-propagators.10-exprk4.inp PASS
01-propagators.11-cfmagnus4.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-sg15-h.01-gs.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-cosine_potential.01-ground_state.inp PASS
02-cosine_potential.02-unocc.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-interaction_graph.01-three_body.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-propagators.01-gs.inp PASS
02-propagators.02-cnsparskit.inp PASS
02-propagators.03-rungekutta2.inp PASS
02-propagators.04-rungekutta4.inp PASS
02-restart.01-ba.inp PASS
02-restart.02-restart_ba.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-non-orthogonal.inp PASS
03-derivatives_3d.02-non-orthogonal_unpacked.inp PASS
03-derivatives_3d.03-45deg_cell.inp PASS
03-h1d_ati.01.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
03-interactions_creation.01-case1.inp PASS
03-interactions_creation.02-case2.inp PASS
03-interactions_creation.03-case3.inp PASS
03-interactions_creation.04-case4.inp PASS
03-nlcc.01-Fatom.inp PASS
03-td_self_consistent.01-gs.inp PASS
03-td_self_consistent.02-etrs.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-nfft.01-ba.inp PASS
04-propagation_verlet.01-two_body.inp PASS
04-propagation_verlet.02-three_body.inp PASS
04-propagation_verlet.03-two_body_different_time_steps.inp PASS
04-propagation_verlet.04-three_body_different_time_steps.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-lithium.01-gs.inp PASS
05-lithium.02-td.inp PASS
05-lithium.03-td-restart.inp PASS
05-lithium.04-dielectric_function.inp PASS
05-lithium.05-tdtdm.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-propagation_beeman.01-two_body.inp PASS
05-propagation_beeman.02-three_body.inp PASS
05-propagation_beeman.03-two_body_different_time_steps.inp PASS
05-propagation_beeman.04-three_body_different_time_steps.inp PASS
05-spin_precession.01-ground_state.inp PASS
05-spin_precession.02-time_propagation.inp PASS
06-caetrs.01-gs.inp PASS
06-caetrs.02-kick.inp PASS
06-caetrs.03-kick-tp1.inp PASS
06-caetrs.04-kick-tp2.inp PASS
06-carbon_dojo_pbe.01-gs.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-propagation_expmid.01-two_body.inp PASS
06-propagation_expmid.02-three_body.inp PASS
06-propagation_expmid.03-two_body_different_time_steps.inp PASS
06-propagation_expmid.04-three_body_different_time_steps.inp PASS
06-propagation_expmid.05-two_body_verlet_half.inp PASS
06-propagation_expmid.06-two_body_verlet.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-flux_1d.01-h1d_lin.inp PASS
07-flux_1d.02-h1d_ati.inp PASS
07-lorentz-force.01-charged_particle_coupled_to_maxwell.inp PASS
07-lorentz-force.02-charged_particle_in_static_efield.inp PASS
07-lorentz-force.03-charged_particle_illegal_propagator.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-benzene_supercell.01-gs.inp PASS
08-constrain.01-gs.inp PASS
08-constrain.02-gs_dir.inp PASS
08-constrain.03-polarized.inp PASS
08-coulomb_force.01-classical_helium.inp PASS
08-laser.01-ground_state.inp PASS
08-laser.02-length_gauge.inp PASS
08-laser.03-velocity_gauge.inp PASS
08-laser.04-velocity_gauge_cheby.inp PASS
08-laser.05-forces.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-illegal_system_names.01-duplicated.inp PASS
09-illegal_system_names.02-empty.inp PASS
09-illegal_system_names.03-illegal_character.inp PASS
09-illegal_system_names.04-white_space.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-bomd.01-gs.inp PASS
10-bomd.02-td.inp PASS
10-bomd.03-td_restart.inp PASS
10-bomd.04-xyz-anim.inp PASS
10-dftbplus_verlet.01-water.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-helium_upf.01-gs_nofilter.inp PASS
10-helium_upf.02-gs_filter_ts.inp PASS
10-helium_upf.03-gs_filter_bsb.inp PASS
10-intersite.01-Na2.inp PASS
10-intersite.02-silicon.inp PASS
10-spm_1d.h1d_lin.inp PASS
11-classical.01-ground_state.inp PASS
11-classical.02-oct.inp PASS
11-classical.03-oct_taylor.inp PASS
11-dftbplus_ehrenfest.01-benzene.inp PASS
11-full_delta.01-gs.inp PASS
11-hartree_cl.01-fft.inp PASS
11-isotopes.01-deuterium.inp PASS
11-isotopes.02-tritium.inp PASS
11-silicon_force.01-gs.inp PASS
11-silicon_force.02-nlcc.inp PASS
11-silicon_force.03-nosym.inp PASS
11-vdw_d3.01-gs.inp PASS
12-absorption.01-gs.inp PASS
12-absorption.02-td.inp PASS
12-absorption.03-td-restart.inp PASS
12-absorption.04-spectrum.inp PASS
12-absorption.05-spectrum_compressed_sensing.inp PASS
12-absorption.06-power_spectrum.inp PASS
12-absorption.07-spectrum_cosine.inp PASS
12-absorption.08-spectrum_exp.inp PASS
12-boron_nitride.01-gs.inp PASS
12-boron_nitride.02-gs_gamma.inp PASS
12-electronic_subsystem_propagators.01-gs.inp PASS
12-electronic_subsystem_propagators.02-expmid.inp PASS
12-electronic_subsystem_propagators.03-aetrs.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
12-mix_and_match.01-mgo.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-libvdwxc_h2o.01-vdwdfcx.inp PASS
13-restart_verlet.01-restart-run-part1.inp PASS
13-restart_verlet.02-restart-run-part2.inp PASS
13-restart_verlet.03-full-run.inp PASS
14-center-geom.01-run.inp PASS
14-lennard-jones.01-classical-particles-N2.inp PASS
14-libvdwxc_Be_hcp.01-vdwdfcx.inp PASS
14-quadrupole-pot.01-hydrogen-gs.inp PASS
15-calcium_psp8_sic.01-gs.inp PASS
15-cholesky_parallel.01-real.inp PASS
15-cholesky_parallel.02-complex.inp PASS
15-crank_nicolson.01-gs.inp PASS
15-crank_nicolson.02-kick.inp PASS
15-crank_nicolson.03-freeze_domains.inp PASS
15-crank_nicolson.04-freeze_states.inp PASS
15-crank_nicolson.05-freeze_sae.inp PASS
15-electronic_system_restart.01-gs.inp PASS
15-electronic_system_restart.02-td_full.inp PASS
15-electronic_system_restart.03-td_restart_part1.inp PASS
15-electronic_system_restart.04-td_restart_part2.inp PASS
15-oep-CG.01-kli.inp PASS
15-oep-CG.02-oep-dens.inp PASS
16-bomd.01-gs.inp PASS
16-bomd.02-td.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
16-platinum_psp8.01-gs.inp PASS
16-sparskit.01-gs.inp PASS
16-sparskit.02-kick.inp PASS
17-absorption-spin_symmetry.01-gs.inp PASS
17-absorption-spin_symmetry.02-td.inp PASS
17-absorption-spin_symmetry.03-spectrum.inp PASS
17-lasers.01-length_gauge.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-hhg.01-gs.inp PASS
18-hhg.02-td.inp PASS
18-hhg.03-hs.inp PASS
18-incompatible_timing.01-run.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
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
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
21-scissor.01-gs.inp PASS
21-scissor.02-td.inp PASS
21-scissor.03-spectrum.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
23-hybrids.01-ace.inp PASS
23-hybrids.02-ace_accel.inp PASS
23-hybrids.03-Si_pbe0.inp PASS
23-hybrids.04-parstates.inp PASS
23-td_qedft_breit_pxlda_adiabatic.01-gs.inp PASS
23-td_qedft_breit_pxlda_adiabatic.02-td.inp PASS
23-td_qedft_breit_pxlda_adiabatic.03-td_restart.inp PASS
24-adsic_freeze_orbitals.01-gs.inp PASS
24-adsic_freeze_orbitals.02-td.inp PASS
24-boundaries.01-jellium.inp PASS
24-hartree_fock_1D.01-gs.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
26-Na.01-gs.inp PASS
26-Na.02-kdotp.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
30-stress.02-gamma_point.inp PASS
30-stress.03-par_kpoints.inp PASS
30-stress.04-kpoint_sym.inp PASS
30-stress.05-output_scf.inp PASS
31-grid_interpolation.01.inp PASS
31-magnon_1d.01-gs.inp PASS
31-magnon_1d.02-td.inp PASS
32-hash-tables.01-iihash.inp PASS
32-hash-tables.02-sihash.inp PASS
32-hash-tables.03-sphash.inp PASS
32-photodoping.01-gs.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
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
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
43-gga_spinors.01-H.inp PASS
Tests
- 03-derivatives_3d.01.inp PASS
- 03-derivatives_3d.02-non-orthogonal.inp PASS
- 03-derivatives_3d.02-non-orthogonal_unpacked.inp PASS
- 03-derivatives_3d.03-45deg_cell.inp PASS
- 07-cholesky_serial.01-real.inp PASS
- 07-cholesky_serial.02-complex.inp PASS
- 07-cholesky_serial.03-parindep.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
- 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
- 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
- 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
- 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
- 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
- 12-forces.01-N2_gs.inp PASS
- 12-forces.02-N2_gs.inp PASS
- 12-forces.03-N2_gs.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
- 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
- 24-o2-spin.01-gs.inp PASS
- 30-local_multipoles.01-gs.inp PASS
- 30-local_multipoles.02-multipoles.inp PASS
- 30-local_multipoles.03-multipoles_restart.inp PASS
- 33-cg.01-orthogonalize_all.inp PASS
- 33-cg.02-additional_terms.inp PASS
- 33-cg.03-cg_direction.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
- 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
- 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
- 01-nested_systems.01-two_levels.inp PASS
- 01-nested_systems.02-three_levels.inp PASS
- 01-nested_systems.03-four_levels.inp PASS
- 03-interactions_creation.01-case1.inp PASS
- 03-interactions_creation.02-case2.inp PASS
- 03-interactions_creation.03-case3.inp PASS
- 03-interactions_creation.04-case4.inp PASS
- 04-propagation_verlet.01-two_body.inp PASS
- 04-propagation_verlet.02-three_body.inp PASS
- 04-propagation_verlet.03-two_body_different_time_steps.inp PASS
- 04-propagation_verlet.04-three_body_different_time_steps.inp PASS
- 05-propagation_beeman.01-two_body.inp PASS
- 05-propagation_beeman.02-three_body.inp PASS
- 05-propagation_beeman.03-two_body_different_time_steps.inp PASS
- 05-propagation_beeman.04-three_body_different_time_steps.inp PASS
- 06-propagation_expmid.01-two_body.inp PASS
- 06-propagation_expmid.02-three_body.inp PASS
- 06-propagation_expmid.03-two_body_different_time_steps.inp PASS
- 06-propagation_expmid.04-three_body_different_time_steps.inp PASS
- 06-propagation_expmid.05-two_body_verlet_half.inp PASS
- 06-propagation_expmid.06-two_body_verlet.inp PASS
- 07-lorentz-force.01-charged_particle_coupled_to_maxwell.inp PASS
- 07-lorentz-force.02-charged_particle_in_static_efield.inp PASS
- 07-lorentz-force.03-charged_particle_illegal_propagator.inp PASS
- 09-illegal_system_names.01-duplicated.inp PASS
- 09-illegal_system_names.02-empty.inp PASS
- 09-illegal_system_names.03-illegal_character.inp PASS
- 09-illegal_system_names.04-white_space.inp PASS
- 12-electronic_subsystem_propagators.01-gs.inp PASS
- 12-electronic_subsystem_propagators.02-expmid.inp PASS
- 12-electronic_subsystem_propagators.03-aetrs.inp PASS
- 13-restart_verlet.01-restart-run-part1.inp PASS
- 13-restart_verlet.02-restart-run-part2.inp PASS
- 13-restart_verlet.03-full-run.inp PASS
- 15-electronic_system_restart.01-gs.inp PASS
- 15-electronic_system_restart.02-td_full.inp PASS
- 15-electronic_system_restart.03-td_restart_part1.inp PASS
- 15-electronic_system_restart.04-td_restart_part2.inp PASS
- 16-bomd.01-gs.inp PASS
- 16-bomd.02-td.inp PASS
- 01-asym_doublewell.01-ground_state.inp PASS
- 01-asym_doublewell.02-unocc.inp PASS
- 01-asym_doublewell.03-oct_run.inp PASS
- 01-asym_doublewell.04-oct_run.inp PASS
- 01-asym_doublewell.05-oct_run.inp PASS
- 11-classical.01-ground_state.inp PASS
- 11-classical.02-oct.inp PASS
- 11-classical.03-oct_taylor.inp PASS
- 05-lithium.01-gs.inp PASS
- 05-lithium.02-td.inp PASS
- 05-lithium.03-td-restart.inp PASS
- 05-lithium.04-dielectric_function.inp PASS
- 05-lithium.05-tdtdm.inp PASS
- 11-silicon_force.01-gs.inp PASS
- 11-silicon_force.02-nlcc.inp PASS
- 11-silicon_force.03-nosym.inp PASS
- 23-hybrids.01-ace.inp PASS
- 23-hybrids.02-ace_accel.inp PASS
- 23-hybrids.03-Si_pbe0.inp PASS
- 23-hybrids.04-parstates.inp PASS
- 26-Na.01-gs.inp PASS
- 26-Na.02-kdotp.inp PASS
- 30-stress.02-gamma_point.inp PASS
- 30-stress.03-par_kpoints.inp PASS
- 30-stress.04-kpoint_sym.inp PASS
- 30-stress.05-output_scf.inp PASS
- 31-magnon_1d.01-gs.inp PASS
- 31-magnon_1d.02-td.inp PASS
- 01-h1d_lin.01-mask.inp PASS
- 01-h1d_lin.02-ba.inp PASS
- 03-h1d_ati.01.inp PASS
- 04-nfft.01-ba.inp PASS
- 01-sg15-h.01-gs.inp PASS
- 03-nlcc.01-Fatom.inp PASS
- 10-helium_upf.01-gs_nofilter.inp PASS
- 10-helium_upf.02-gs_filter_ts.inp PASS
- 10-helium_upf.03-gs_filter_bsb.inp PASS
- 01-propagators.01-gs.inp PASS
- 01-propagators.02-expmid.inp PASS
- 01-propagators.03-etrs_taylor.inp PASS
- 01-propagators.04-etrs_lanczos.inp PASS
- 01-propagators.05-etrs_chebyshev.inp PASS
- 01-propagators.06-aetrs.inp PASS
- 01-propagators.07-caetrs.inp PASS
- 01-propagators.08-cn.inp PASS
- 01-propagators.09-magnus.inp PASS
- 01-propagators.10-exprk4.inp PASS
- 01-propagators.11-cfmagnus4.inp PASS
- 02-propagators.01-gs.inp PASS
- 02-propagators.02-cnsparskit.inp PASS
- 02-propagators.03-rungekutta2.inp PASS
- 02-propagators.04-rungekutta4.inp PASS
- 06-caetrs.01-gs.inp PASS
- 06-caetrs.02-kick.inp PASS
- 06-caetrs.03-kick-tp1.inp PASS
- 06-caetrs.04-kick-tp2.inp PASS
- 08-laser.01-ground_state.inp PASS
- 08-laser.02-length_gauge.inp PASS
- 08-laser.03-velocity_gauge.inp PASS
- 08-laser.04-velocity_gauge_cheby.inp PASS
- 08-laser.05-forces.inp PASS
- 10-bomd.01-gs.inp PASS
- 10-bomd.02-td.inp PASS
- 10-bomd.03-td_restart.inp PASS
- 10-bomd.04-xyz-anim.inp PASS
- 12-absorption.01-gs.inp PASS
- 12-absorption.02-td.inp PASS
- 12-absorption.03-td-restart.inp PASS
- 12-absorption.04-spectrum.inp PASS
- 12-absorption.05-spectrum_compressed_sensing.inp PASS
- 12-absorption.06-power_spectrum.inp PASS
- 12-absorption.07-spectrum_cosine.inp PASS
- 12-absorption.08-spectrum_exp.inp PASS
- 15-crank_nicolson.01-gs.inp PASS
- 15-crank_nicolson.02-kick.inp PASS
- 15-crank_nicolson.03-freeze_domains.inp PASS
- 15-crank_nicolson.04-freeze_states.inp PASS
- 15-crank_nicolson.05-freeze_sae.inp PASS
- 16-sparskit.01-gs.inp PASS
- 16-sparskit.02-kick.inp PASS
- 17-absorption-spin_symmetry.01-gs.inp PASS
- 17-absorption-spin_symmetry.02-td.inp PASS
- 17-absorption-spin_symmetry.03-spectrum.inp PASS
- 18-hhg.01-gs.inp PASS
- 18-hhg.02-td.inp PASS
- 18-hhg.03-hs.inp PASS
- 21-scissor.01-gs.inp PASS
- 21-scissor.02-td.inp PASS
- 21-scissor.03-spectrum.inp PASS