Commit 3c420e9c5d17b5a8141b8a8fba1d695a7aba9ef4
Comparison between runs
All tests
components/01-derivatives_1d.test PASS
components/02-derivatives_2d.test PASS
components/03-derivatives_3d.test PASS
components/04-hartree_3d_cg.test PASS
components/05-hartree_3d_fft.test PASS
components/06-hartree_3d_isf.test PASS
components/07-cholesky_serial.test PASS
components/08-gs.test PASS
components/10-hartree_pfft.test PASS
components/11-hartree_cl.test PASS
components/12-hartree_direct_3d.test PASS
components/13-hartree_3d_mg.test PASS
components/14-center-geom.test PASS
components/15-cholesky_parallel.test PASS
components/16-hartree_3d_psolver.test PASS
components/17-recipe.test PASS
components/18-interpolation.test PASS
components/19-hgh_soc.test PASS
components/20-dft_u.test PASS
components/21-hamiltonian_apply.test PASS
components/22-density_calc.test PASS
components/23-exponential_apply.test PASS
components/24-boundaries.test PASS
components/25-subspace.test PASS
components/26-batch_ops.test PASS
components/27-clock.test PASS
components/28-cgal.test PASS
components/29-linear_solver.test PASS
components/30-eigensolver.test PASS
components/31-grid_interpolation.test PASS
components/32-hash-tables.test PASS
components/35-helmholtz_decom.test PASS
components/36-maxwell_vector_potential.test PASS
components/37-current-density.test PASS
components/38-mixing.test PASS
components/39-optimizers.test PASS
finite_systems_2d/01-quadratic_box.test PASS
finite_systems_2d/02-fock-darwin.test PASS
finite_systems_2d/03-helium_atom.test PASS
finite_systems_2d/04-biot_savart.test PASS
finite_systems_2d/05-spin_precession.test PASS
finite_systems_2d/06-gdlib.test PASS
finite_systems_2d/07-user_def_box.test PASS
finite_systems_2d/08-constrain.test PASS
finite_systems_2d/09-magnetic_2d.test PASS
finite_systems_3d/01-carbon_atom.test PASS
finite_systems_3d/02-curvilinear_coordinates.test PASS
finite_systems_3d/03-magnetic.test PASS
finite_systems_3d/04-jellium.test PASS
finite_systems_3d/05-output.test PASS
finite_systems_3d/06-restart.test PASS
finite_systems_3d/07-spin_orbit_coupling.test PASS
finite_systems_3d/08-spin_orbit_coupling_full.test PASS
finite_systems_3d/09-spinors.test PASS
finite_systems_3d/10-fullerene.test PASS
finite_systems_3d/12-forces.test PASS
finite_systems_3d/13-full_potential_hydrogen.test PASS
finite_systems_3d/14-fullerene_unpacked.test 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/22-preconditioner.test PASS
finite_systems_3d/23-go-na2.test PASS
finite_systems_3d/24-o2-spin.test PASS
finite_systems_3d/28-carbon_big_box.test PASS
finite_systems_3d/29-pcm_chlorine_anion.test PASS
finite_systems_3d/30-local_multipoles.test PASS
finite_systems_3d/31-acetylene_b3lyp.test PASS
finite_systems_3d/32-tdpcm_methane.test PASS
finite_systems_3d/33-cg.test PASS
finite_systems_3d/34-walltime.test PASS
finite_systems_3d/35-slater_x.test PASS
finite_systems_3d/36-kli_x.test PASS
finite_systems_3d/37-sternheimer_polarized.test PASS
finite_systems_3d/38-carbon_atom_cgal_box.test PASS
finite_systems_3d/39-adsic.test PASS
finite_systems_3d/40-evo.test PASS
finite_systems_3d/41-gpu-bug.test PASS
finite_systems_3d/42-full_potential_anc.test PASS
finite_systems_3d/43-gga_spinors.test PASS
lda_u/05-forces.test PASS
lda_u/12-intersite_spinors.test PASS
lda_u/13-j_dependent.test PASS
functionals/01-xc_1d.test PASS
functionals/02-xc_2d.test PASS
functionals/03-xc.test PASS
functionals/05-ks_inversion.test PASS
functionals/06-rdmft.test PASS
functionals/07-sic.test PASS
functionals/08-vdw_ts.test PASS
functionals/09-vdw_ts_sc.test PASS
functionals/11-vdw_d3.test PASS
functionals/12-vdw_solid_c6.test PASS
functionals/13-libvdwxc_h2o.test PASS
functionals/14-libvdwxc_Be_hcp.test PASS
functionals/15-oep-CG.test PASS
functionals/16-dressed-rdmft.test PASS
functionals/17-oep-photons.test PASS
functionals/18-mgga.test PASS
functionals/19-qedft-breit-1d.test PASS
functionals/20-qedft-breit-2d.test PASS
functionals/21-qedft-breit-3d.test PASS
functionals/23-xc_lrx.test PASS
components/05-hartree_3d_fft.test PASS
components/08-gs.test PASS
components/12-hartree_direct_3d.test PASS
finite_systems_2d/02-fock-darwin.test PASS
finite_systems_2d/04-biot_savart.test PASS
finite_systems_3d/01-carbon_atom.test PASS
finite_systems_3d/03-magnetic.test PASS
finite_systems_3d/04-jellium.test PASS
finite_systems_3d/08-spin_orbit_coupling_full.test PASS
finite_systems_3d/10-fullerene.test PASS
finite_systems_3d/14-fullerene_unpacked.test 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
finite_systems_3d/29-pcm_chlorine_anion.test PASS
finite_systems_3d/31-acetylene_b3lyp.test PASS
finite_systems_3d/32-tdpcm_methane.test PASS
finite_systems_3d/34-walltime.test PASS
finite_systems_3d/35-slater_x.test PASS
finite_systems_3d/36-kli_x.test PASS
finite_systems_3d/38-carbon_atom_cgal_box.test PASS
finite_systems_3d/41-gpu-bug.test PASS
finite_systems_3d/42-full_potential_anc.test PASS
functionals/03-xc.test PASS
functionals/06-rdmft.test PASS
functionals/07-sic.test PASS
functionals/08-vdw_ts.test PASS
functionals/12-vdw_solid_c6.test PASS
functionals/20-qedft-breit-2d.test PASS
functionals/23-xc_lrx.test PASS
lda_u/01-nio.test PASS
lda_u/02-ACBN0.test PASS
lda_u/07-noncollinear.test PASS
lda_u/09-basis_from_states.test PASS
lda_u/13-j_dependent.test PASS
linear_response/03-vdw_sternheimer.test PASS
maxwell/05-plane_waves.test PASS
optimal_control/06-zbr98.test PASS
optimal_control/08-velocities.test PASS
optimal_control/09-density+current.test PASS
multisystem/01-nested_systems.test PASS
multisystem/02-interaction_graph.test PASS
multisystem/03-interactions_creation.test PASS
multisystem/04-propagation_verlet.test PASS
multisystem/05-propagation_beeman.test PASS
multisystem/06-propagation_expmid.test PASS
multisystem/07-lorentz-force.test PASS
multisystem/08-coulomb_force.test PASS
multisystem/09-illegal_system_names.test PASS
multisystem/10-dftbplus_verlet.test PASS
multisystem/11-dftbplus_ehrenfest.test PASS
multisystem/13-restart_verlet.test PASS
multisystem/14-lennard-jones.test PASS
multisystem/17-lasers.test PASS
multisystem/18-incompatible_timing.test PASS
multisystem/19-intra_interaction.test PASS
multisystem/20-ensemble.test PASS
multisystem/21-electronic_gs.test PASS
components/01-derivatives_1d.test PASS
components/02-derivatives_2d.test PASS
components/03-derivatives_3d.test PASS
components/04-hartree_3d_cg.test PASS
components/06-hartree_3d_isf.test PASS
components/07-cholesky_serial.test PASS
components/10-hartree_pfft.test PASS
components/11-hartree_cl.test PASS
components/13-hartree_3d_mg.test PASS
components/14-center-geom.test PASS
components/15-cholesky_parallel.test PASS
components/16-hartree_3d_psolver.test PASS
components/17-recipe.test PASS
components/18-interpolation.test PASS
components/19-hgh_soc.test PASS
components/20-dft_u.test PASS
components/21-hamiltonian_apply.test PASS
components/22-density_calc.test PASS
components/23-exponential_apply.test PASS
components/24-boundaries.test PASS
components/25-subspace.test PASS
components/26-batch_ops.test PASS
components/27-clock.test PASS
components/28-cgal.test PASS
components/29-linear_solver.test PASS
components/30-eigensolver.test PASS
components/31-grid_interpolation.test PASS
components/32-hash-tables.test PASS
components/35-helmholtz_decom.test PASS
components/36-maxwell_vector_potential.test PASS
components/37-current-density.test PASS
components/38-mixing.test PASS
components/39-optimizers.test PASS
errors/01-run_mode.test PASS
errors/02-scf_errors.test PASS
finite_systems_1d/01-hydrogen.test PASS
finite_systems_1d/03-He-Hartree-Fock.test PASS
finite_systems_1d/04-lithium.test PASS
finite_systems_1d/09-morse.test PASS
finite_systems_2d/01-quadratic_box.test PASS
finite_systems_2d/03-helium_atom.test PASS
finite_systems_2d/05-spin_precession.test PASS
finite_systems_2d/06-gdlib.test PASS
finite_systems_2d/07-user_def_box.test PASS
finite_systems_2d/08-constrain.test PASS
finite_systems_2d/09-magnetic_2d.test PASS
finite_systems_3d/02-curvilinear_coordinates.test PASS
finite_systems_3d/05-output.test PASS
finite_systems_3d/06-restart.test PASS
finite_systems_3d/07-spin_orbit_coupling.test PASS
finite_systems_3d/09-spinors.test PASS
finite_systems_3d/12-forces.test PASS
finite_systems_3d/13-full_potential_hydrogen.test PASS
finite_systems_3d/22-preconditioner.test PASS
finite_systems_3d/24-o2-spin.test PASS
finite_systems_3d/28-carbon_big_box.test PASS
finite_systems_3d/30-local_multipoles.test PASS
finite_systems_3d/33-cg.test PASS
finite_systems_3d/37-sternheimer_polarized.test PASS
finite_systems_3d/39-adsic.test PASS
finite_systems_3d/40-evo.test PASS
finite_systems_3d/43-gga_spinors.test PASS
functionals/01-xc_1d.test PASS
functionals/02-xc_2d.test PASS
functionals/05-ks_inversion.test PASS
functionals/09-vdw_ts_sc.test PASS
functionals/11-vdw_d3.test PASS
functionals/13-libvdwxc_h2o.test PASS
functionals/14-libvdwxc_Be_hcp.test PASS
functionals/15-oep-CG.test PASS
functionals/16-dressed-rdmft.test PASS
functionals/17-oep-photons.test PASS
functionals/18-mgga.test PASS
functionals/19-qedft-breit-1d.test PASS
functionals/21-qedft-breit-3d.test PASS
lda_u/03-ACBN0_restricted.test PASS
lda_u/05-forces.test PASS
lda_u/06-laser.test PASS
lda_u/12-intersite_spinors.test PASS
linear_response/02-h2o_pol_lr.test PASS
linear_response/08-sternheimer-photons.test PASS
maxwell/01-free-propagation.test PASS
maxwell/06-circular-polarization.test PASS
maxwell/07-mode-resolved-maxwell-ks-propagation.test PASS
maxwell/08-restart-maxwell.test PASS
multisystem/01-nested_systems.test PASS
multisystem/02-interaction_graph.test PASS
multisystem/03-interactions_creation.test PASS
multisystem/04-propagation_verlet.test PASS
multisystem/05-propagation_beeman.test PASS
multisystem/06-propagation_expmid.test PASS
multisystem/07-lorentz-force.test PASS
multisystem/08-coulomb_force.test PASS
multisystem/09-illegal_system_names.test PASS
multisystem/10-dftbplus_verlet.test PASS
multisystem/11-dftbplus_ehrenfest.test PASS
multisystem/13-restart_verlet.test PASS
multisystem/14-lennard-jones.test PASS
multisystem/17-lasers.test PASS
multisystem/18-incompatible_timing.test PASS
multisystem/19-intra_interaction.test PASS
multisystem/20-ensemble.test PASS
multisystem/21-electronic_gs.test PASS
real_time/21-scissor.test PASS
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