Commit 38d8a2aa5148b0d12b4c70e78b219fc94162dbd0
Comparison between runs
All tests
components 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/33-mpiwrappers.test PASS
components/34-regridding.test PASS
components/35-helmholtz_decom.test PASS
components/36-maxwell_vector_potential.test PASS
components/37-current-density.test PASS
finite_systems_1d PASS
finite_systems_2d 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
modelmb/01-cosh_2e_1d.test PASS
finite_systems_3d 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/20-eigensolver.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
lda_u/04-ACBN0_isolated.test PASS
lda_u/05-forces.test PASS
lda_u/10-intersite.test PASS
lda_u/11-full_delta.test PASS
lda_u/12-intersite_spinors.test PASS
functionals 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 PASS
linear_response PASS
maxwell PASS
multisystem 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
optimal_control PASS
periodic_systems PASS
lda_u/03-ACBN0_restricted.test PASS
periodic_systems/01-free_electrons.test PASS
periodic_systems/02-cosine_potential.test PASS
periodic_systems/05-lithium.test PASS
periodic_systems/08-benzene_supercell.test PASS
periodic_systems/11-silicon_force.test PASS
periodic_systems/12-boron_nitride.test PASS
periodic_systems/23-hybrids.test PASS
periodic_systems/24-hartree_fock_1D.test PASS
periodic_systems/26-Na.test PASS
periodic_systems/30-stress.test PASS
periodic_systems/31-magnon_1d.test PASS
periodic_systems/32-photodoping.test PASS
photo_electron PASS
pseudopotentials PASS
pseudopotentials/01-sg15-h.test PASS
pseudopotentials/03-nlcc.test PASS
pseudopotentials/06-carbon_dojo_pbe.test PASS
pseudopotentials/10-helium_upf.test PASS
pseudopotentials/11-isotopes.test PASS
pseudopotentials/12-mix_and_match.test PASS
pseudopotentials/15-calcium_psp8_sic.test PASS
pseudopotentials/16-platinum_psp8.test PASS
real_time PASS
lda_u/06-laser.test PASS
multisystem/12-electronic_subsystem_propagators.test PASS
multisystem/15-electronic_system_restart.test PASS
multisystem/16-bomd.test PASS
real_time/01-propagators.test PASS
real_time/02-propagators.test PASS
real_time/03-td_self_consistent.test PASS
real_time/06-caetrs.test PASS
real_time/08-laser.test PASS
real_time/10-bomd.test PASS
real_time/12-absorption.test PASS
real_time/15-crank_nicolson.test PASS
real_time/16-sparskit.test PASS
real_time/17-absorption-spin_symmetry.test PASS
real_time/18-hhg.test PASS
real_time/21-scissor.test PASS
real_time/23-td_qedft_breit_pxlda_adiabatic.test PASS
real_time/24-adsic_freeze_orbitals.test PASS
short-run 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/33-mpiwrappers.test PASS
components/34-regridding.test PASS
components/35-helmholtz_decom.test PASS
components/36-maxwell_vector_potential.test PASS
components/37-current-density.test PASS
errors/01-run_mode.test PASS
errors/02-scf_errors.test PASS
finite_systems_1d/01-hydrogen.test PASS
finite_systems_1d/02-neon_mpi.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/20-eigensolver.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/04-ACBN0_isolated.test PASS
lda_u/05-forces.test PASS
lda_u/06-laser.test PASS
lda_u/10-intersite.test PASS
lda_u/11-full_delta.test PASS
lda_u/12-intersite_spinors.test PASS
linear_response/02-h2o_pol_lr.test PASS
linear_response/04-vib_modes.test PASS
linear_response/07-casida-photons.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
maxwell/14-quadrupole-pot.test PASS
modelmb/01-cosh_2e_1d.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/12-electronic_subsystem_propagators.test PASS
multisystem/13-restart_verlet.test PASS
multisystem/14-lennard-jones.test PASS
multisystem/15-electronic_system_restart.test PASS
multisystem/16-bomd.test PASS
multisystem/17-lasers.test PASS
multisystem/18-incompatible_timing.test PASS
optimal_control/01-asym_doublewell.test PASS
optimal_control/11-classical.test PASS
periodic_systems/01-free_electrons.test PASS
periodic_systems/02-cosine_potential.test PASS
periodic_systems/05-lithium.test PASS
periodic_systems/08-benzene_supercell.test PASS
periodic_systems/11-silicon_force.test PASS
periodic_systems/12-boron_nitride.test PASS
periodic_systems/23-hybrids.test PASS
periodic_systems/24-hartree_fock_1D.test PASS
periodic_systems/26-Na.test PASS
periodic_systems/30-stress.test PASS
periodic_systems/31-magnon_1d.test PASS
periodic_systems/32-photodoping.test PASS
photo_electron/01-h1d_lin.test PASS
photo_electron/02-restart.test PASS
photo_electron/03-h1d_ati.test PASS
photo_electron/04-nfft.test PASS
photo_electron/07-flux_1d.test PASS
photo_electron/10-spm_1d.test PASS
pseudopotentials/01-sg15-h.test PASS
pseudopotentials/03-nlcc.test PASS
pseudopotentials/06-carbon_dojo_pbe.test PASS
pseudopotentials/10-helium_upf.test PASS
pseudopotentials/11-isotopes.test PASS
pseudopotentials/12-mix_and_match.test PASS
pseudopotentials/15-calcium_psp8_sic.test PASS
pseudopotentials/16-platinum_psp8.test PASS
real_time/01-propagators.test PASS
real_time/02-propagators.test PASS
real_time/03-td_self_consistent.test PASS
real_time/06-caetrs.test PASS
real_time/08-laser.test PASS
real_time/10-bomd.test PASS
real_time/12-absorption.test PASS
real_time/15-crank_nicolson.test PASS
real_time/16-sparskit.test PASS
real_time/17-absorption-spin_symmetry.test PASS
real_time/18-hhg.test PASS
real_time/21-scissor.test PASS
real_time/23-td_qedft_breit_pxlda_adiabatic.test PASS
real_time/24-adsic_freeze_orbitals.test PASS
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