FromScratch
FromScratch
Section Execution
Type logical
Default false
When this variable is set to true, Octopus will perform a
calculation from the beginning, without looking for restart
information.
NOTE: If available, mesh partitioning information will be used for
initializing the calculation regardless of the set value for this variable.
Source information
main/run.F90 : 235
call parse_variable(namespace, 'FromScratch', .false., from_scratch)
Featured in tutorials
Featured in chapters of the manual:
Featured in testfiles
- errors/01-run_mode.01-one_shot.inp
- finite_systems_1d/01-hydrogen.01-ground_state.inp
- finite_systems_1d/01-hydrogen.02-excited_state.inp
- finite_systems_1d/01-hydrogen.03-dummy.inp
- finite_systems_1d/01-hydrogen.04-absorbing_boundaries.inp
- finite_systems_1d/02-neon_mpi.01-ground_state-IP_par_domains.inp
- finite_systems_1d/02-neon_mpi.03-td_calc-kli_par_states.inp
- finite_systems_1d/09-morse.02-unocc.inp
- finite_systems_1d/09-morse.03-td.inp
- finite_systems_1d/04-lithium.01-ground_state.inp
- finite_systems_1d/04-lithium.02-absorbing_boundaries.inp
- finite_systems_1d/09-morse.01-gs.inp
- finite_systems_2d/01-quadratic_box.01-ground_state.inp
- finite_systems_2d/01-quadratic_box.02-hartree.inp
- finite_systems_2d/01-quadratic_box.03-hartree+xc.inp
- finite_systems_2d/01-quadratic_box.04-spin_polarized.inp
- finite_systems_2d/02-fock-darwin.01-ground_state.inp
- finite_systems_2d/03-helium_atom.01-ground_state.inp
- finite_systems_2d/03-helium_atom.02-ground_state.inp
- finite_systems_2d/04-biot_savart.01-gs.inp
- finite_systems_2d/05-spin_precession.02-time_propagation.inp
- finite_systems_2d/06-gdlib.01-gs.inp
- finite_systems_2d/07-user_def_box.01-gs.inp
- finite_systems_2d/02-fock-darwin.02-ground_state.inp
- finite_systems_2d/02-fock-darwin.03-ground_state.inp
- finite_systems_2d/02-fock-darwin.04-ground_state.inp
- finite_systems_2d/05-spin_precession.01-ground_state.inp
- finite_systems_2d/08-constrain.01-gs.inp
- finite_systems_2d/08-constrain.02-gs_dir.inp
- finite_systems_2d/08-constrain.03-polarized.inp
- finite_systems_2d/09-magnetic_2d.01-no_field.inp
- finite_systems_2d/09-magnetic_2d.02-gs_gauge_xy.inp
- finite_systems_2d/09-magnetic_2d.03-gs_gauge_y.inp
- finite_systems_3d/01-carbon_atom.01-psf_l0.inp
- finite_systems_3d/01-carbon_atom.02-psf_l1.inp
- finite_systems_3d/01-carbon_atom.03-static_field.inp
- finite_systems_3d/01-carbon_atom.04-smear.inp
- finite_systems_3d/02-curvilinear_coordinates.01-gygi.inp
- finite_systems_3d/03-magnetic.01-gs-unpolarized.inp
- finite_systems_3d/03-magnetic.02-td-unpolarized.inp
- finite_systems_3d/03-magnetic.03-gs-polarized.inp
- finite_systems_3d/03-magnetic.04-td-polarized.inp
- finite_systems_3d/03-magnetic.05-gs-spinors.inp
- finite_systems_3d/03-magnetic.06-td-spinors.inp
- finite_systems_3d/04-jellium.01-ground_state.inp
- finite_systems_3d/05-output.02-gs.inp
- finite_systems_3d/06-restart.01-gs_mixrho.inp
- finite_systems_3d/06-restart.02-restart_gs_mixrho.inp
- finite_systems_3d/06-restart.03-gs_mixvhxc.inp
- finite_systems_3d/06-restart.04-restart_gs_mixvhxc.inp
- finite_systems_3d/06-restart.05-restart_gs.inp
- finite_systems_3d/06-restart.06-td_calc.inp
- finite_systems_3d/06-restart.07-restart_td_calc.inp
- finite_systems_3d/07-spin_orbit_coupling.01-hgh.inp
- finite_systems_3d/07-spin_orbit_coupling.02-rkb.inp
- finite_systems_3d/08-spin_orbit_coupling_full.01-hgh.inp
- finite_systems_3d/08-spin_orbit_coupling_full.02-rkb.inp
- finite_systems_3d/09-spinors.01-ground_state.inp
- finite_systems_3d/09-spinors.02-rmmdiis.inp
- finite_systems_3d/09-spinors.03-rmmdiis_extra_states.inp
- finite_systems_3d/10-fullerene.01-gs.inp
- finite_systems_3d/12-forces.01-N2_gs.inp
- finite_systems_3d/12-forces.02-N2_gs.inp
- finite_systems_3d/13-full_potential_hydrogen.01-gs.inp
- finite_systems_3d/13-full_potential_hydrogen.02-gs-cg.inp
- finite_systems_3d/14-fullerene_unpacked.01-gs.inp
- finite_systems_3d/14-fullerene_unpacked.02-td-unpacked.inp
- finite_systems_3d/14-fullerene_unpacked.03-td-packed.inp
- finite_systems_3d/15-fullerene_stdlcao.01-gs.inp
- finite_systems_3d/16-scfinlcao_std.01-gs.inp
- finite_systems_3d/17-scfinlcao_alt.01-gs.inp
- finite_systems_3d/18-preconditioner_poisson.01-poisson.inp
- finite_systems_3d/20-eigensolver.01-cg.inp
- finite_systems_3d/05-output.01-gs-set1.inp
- finite_systems_3d/20-eigensolver.03-plan.inp
- finite_systems_3d/20-eigensolver.04-evolution.inp
- finite_systems_3d/20-eigensolver.05-rmmdiis.inp
- finite_systems_3d/20-eigensolver.06-rmmdiis-noscalapack.inp
- finite_systems_3d/22-preconditioner.01-none.inp
- finite_systems_3d/22-preconditioner.02-filter.inp
- finite_systems_3d/22-preconditioner.03-jacobi.inp
- finite_systems_3d/22-preconditioner.04-multigrid.inp
- finite_systems_3d/22-preconditioner.05-multigrid_rmmdiis.inp
- finite_systems_3d/23-go-na2.01-steep.inp
- finite_systems_3d/23-go-na2.02-simplex.inp
- finite_systems_3d/23-go-na2.03-fire.inp
- finite_systems_3d/23-go-na2.04-fire_restart.inp
- finite_systems_3d/23-go-na2.05-constrains.inp
- finite_systems_3d/24-o2-spin.01-gs.inp
- finite_systems_3d/28-carbon_big_box.01-ground_state.inp
- finite_systems_3d/29-pcm_chlorine_anion.01-ground_state-n60.inp
- finite_systems_3d/29-pcm_chlorine_anion.02-td_prop-n60.inp
- finite_systems_3d/29-pcm_chlorine_anion.03-ground_state-n60-poisson.inp
- finite_systems_3d/29-pcm_chlorine_anion.04-ground_state-n240.inp
- finite_systems_3d/32-tdpcm_methane.01-ground_state.inp
- finite_systems_3d/32-tdpcm_methane.02-td_prop_neq.inp
- finite_systems_3d/32-tdpcm_methane.03-td_prop_eom.inp
- finite_systems_3d/34-walltime.01-gs_walltime.inp
- finite_systems_3d/34-walltime.02-restart_gs.inp
- finite_systems_3d/34-walltime.03-td_walltime.inp
- finite_systems_3d/38-carbon_atom_cgal_box.01-gs.inp
- finite_systems_3d/41-gpu-bug.01-C.inp
- finite_systems_3d/20-eigensolver.07-chebyshev.inp
- finite_systems_3d/31-acetylene_b3lyp.01-gs.inp
- finite_systems_3d/33-cg.01-orthogonalize_all.inp
- finite_systems_3d/33-cg.02-additional_terms.inp
- finite_systems_3d/33-cg.03-cg_direction.inp
- finite_systems_3d/35-slater_x.01-gs.inp
- finite_systems_3d/35-slater_x.02-gs_spinors.inp
- finite_systems_3d/36-kli_x.01-gs.inp
- finite_systems_3d/36-kli_x.02-gs_spinors.inp
- finite_systems_3d/37-sternheimer_polarized.01-gs.inp
- finite_systems_3d/37-sternheimer_polarized.02-em_resp.inp
- finite_systems_3d/39-adsic.01-unpolarized.inp
- finite_systems_3d/39-adsic.02-polarized.inp
- finite_systems_3d/40-evo.01-par_domains.inp
- finite_systems_3d/40-evo.02-par_states.inp
- finite_systems_3d/42-full_potential_anc.01-gs.inp
- finite_systems_3d/42-full_potential_anc.02-sc-zora.inp
- finite_systems_3d/42-full_potential_anc.03-sf-zora.inp
- finite_systems_3d/42-full_potential_anc.04-fr-zora.inp
- finite_systems_3d/42-full_potential_anc.05-zora-error.inp
- functionals/01-xc_1d.01-wfs-lda.inp
- functionals/02-xc_2d.01-hartree.inp
- functionals/02-xc_2d.02-hf.inp
- functionals/02-xc_2d.lda_prm.inp
- functionals/03-xc.01-gs.inp
- functionals/04-oep.01-jellium-lsda.inp
- functionals/04-oep.03-jellium-full_exx.inp
- functionals/05-ks_inversion.01-target_density.inp
- functionals/05-ks_inversion.02-two_particle.inp
- functionals/05-ks_inversion.03-inversion.inp
- functionals/06-rdmft.01-ip.inp
- functionals/06-rdmft.01-ip.inp
- functionals/07-sic.01-gs.inp
- functionals/08-vdw_ts.01-gs.inp
- functionals/09-vdw_ts_sc.01-gs.inp
- functionals/11-vdw_d3.01-gs.inp
- functionals/12-vdw_solid_c6.01-gs_diamond.inp
- functionals/12-vdw_solid_c6.02-gs_graphene.inp
- functionals/16-dressed-rdmft.01-ip.inp
- functionals/17-oep-photons.01-kli-spinpolarized.inp
- functionals/17-oep-photons.02-kli.inp
- functionals/18-mgga.01-br89.inp
- functionals/18-mgga.02-br89_oep.inp
- functionals/07-sic.02-scdm.inp
- functionals/19-qedft-breit-1d.01-etac-px.inp
- functionals/19-qedft-breit-1d.02-pxlda.inp
- functionals/20-qedft-breit-2d.01-etac-px.inp
- functionals/20-qedft-breit-2d.02-pxlda-weak.inp
- functionals/20-qedft-breit-2d.03-pxlda-strong.inp
- functionals/21-qedft-breit-3d.01-pxlda-hydrogen.inp
- functionals/21-qedft-breit-3d.02-pxlda-helium.inp
- lda_u/01-nio.01-U5-gs.inp
- lda_u/01-nio.02-unocc.inp
- lda_u/02-ACBN0.01-nio.inp
- lda_u/02-ACBN0.02-lif.inp
- lda_u/03-ACBN0_restricted.02-lif_unpacked.inp
- lda_u/06-laser.01-gs.inp
- lda_u/06-laser.02-length_gauge.inp
- lda_u/06-laser.03-velocity_gauge.inp
- lda_u/09-basis_from_states.01-lda.inp
- lda_u/09-basis_from_states.02-acbn0.inp
- lda_u/09-basis_from_states.03-intersite.inp
- lda_u/11-full_delta.01-gs.inp
- lda_u/12-intersite_spinors.01-Na2_gs.inp
- lda_u/12-intersite_spinors.02-Na2_td.inp
- lda_u/03-ACBN0_restricted.01-lif.inp
- lda_u/04-ACBN0_isolated.01-H_unpacked.inp
- lda_u/04-ACBN0_isolated.02-H_packed.inp
- lda_u/05-forces.01-Na2.inp
- lda_u/05-forces.02-Na2_go.inp
- lda_u/05-forces.03-Na2_go_ACBN0.inp
- lda_u/07-noncollinear.01-U5-gs.inp
- lda_u/07-noncollinear.02-acbn0.inp
- lda_u/10-intersite.01-Na2.inp
- lda_u/10-intersite.02-silicon.inp
- linear_response/01-casida.01-gs.inp
- linear_response/01-casida.02-vib_modes.inp
- linear_response/01-casida.03-unocc.inp
- linear_response/01-casida.05-casida.inp
- linear_response/01-casida.06-casida_scalapack.inp
- linear_response/01-casida.07-casida_elpa.inp
- linear_response/01-casida.08-casida_restart.inp
- linear_response/01-casida.09-spectrum.inp
- linear_response/02-h2o_pol_lr.01_h2o_gs.inp
- linear_response/02-h2o_pol_lr.02_h2o_dyn_pol.inp
- linear_response/02-h2o_pol_lr.04_h2o_susc.inp
- linear_response/03-vdw_sternheimer.01-ground_state.inp
- linear_response/03-vdw_sternheimer.02-vdw.inp
- linear_response/04-vib_modes.01-ground_state.inp
- linear_response/04-vib_modes.02-vib_modes.inp
- linear_response/04-vib_modes.03-vib_modes_restart.inp
- linear_response/05-polarizability.01-gs.inp
- linear_response/05-polarizability.02-sternheimer.inp
- linear_response/05-polarizability.03-finite-diff.inp
- linear_response/06-vib_modes_fd.01-ground_state.inp
- linear_response/06-vib_modes_fd.01-vib_modes_fd.inp
- maxwell/08-restart-maxwell.03-linear-medium_fromscratch.inp
- maxwell/02-external-current.01-gaussian_current_pulse.inp
- maxwell/02-external-current.03-gaussian_current_pulse_with_mask.inp
- maxwell/03-linear-medium.03-cosinoidal_pulse_td_pml_unpacked.inp
- maxwell/03-linear-medium.03-cosinoidal_pulse_td_pml_unpacked.inp
- maxwell/04-linear-medium-from-file.01-cube_medium_from_file.inp
- maxwell/05-plane_waves.01-pulse_pml.inp
- maxwell/08-restart-maxwell.01-free-propagation_fromscratch.inp
- maxwell/07-mode-resolved-maxwell-ks-propagation.01-1D-Helium-ground-state.inp
- maxwell/07-mode-resolved-maxwell-ks-propagation.02-kick-of-the-electronic-subsystem.inp
- maxwell/08-restart-maxwell.02-external-current-pml_fromscratch.inp
- maxwell/12-tddft-currents-to-maxwell.01-benzene-gs.inp
- maxwell/09-drude-medium-from-file.02-gold-np-part-one.inp
- maxwell/09-drude-medium-from-file.04-gold-np-external-source.inp
- maxwell/10-current-to-maxwell.01-all-forces-non-self-consistent.inp
- maxwell/11-leapfrog.01-fullrun.inp
- maxwell/11-leapfrog.02-pml_fullrun.inp
- maxwell/11-leapfrog.03-pml_medium_fullrun.inp
- maxwell/11-leapfrog.04-pml_medium_restart_part1.inp
- maxwell/11-leapfrog.05-pml_medium_restart_part2.inp
- maxwell/12-tddft-currents-to-maxwell.02-benzene-mxll-td-length-gauge.inp
- maxwell/12-tddft-currents-to-maxwell.03-benzene-mxll-td-veloc-gauge.inp
- maxwell/12-tddft-currents-to-maxwell.04-benzene-mxll-td-full-min-coup.inp
- maxwell/01-free-propagation.01-1_pulse_td.inp
- maxwell/01-free-propagation.02-2_pulses_td.inp
- maxwell/02-external-current.02-gaussian_current_pulse_with_pml.inp
- maxwell/02-external-current.04-gaussian_current_pml_modified_speed_of_light.inp
- maxwell/03-linear-medium.01-cosinoidal_pulse_td.inp
- maxwell/03-linear-medium.02-cosinoidal_pulse_td_pml.inp
- maxwell/06-circular-polarization.01-1_puse_circ_pol.inp
- maxwell/09-drude-medium-from-file.05-gold-np-envelope-from-expression.inp
- maxwell/12-tddft-currents-to-maxwell.05-benzene-extsource-td-veloc-gauge.inp
- maxwell/12-tddft-currents-to-maxwell.06-benzene-dipole-and-quadrupole.inp
- maxwell/13-extsource-bessel.01-carbon-gs.inp
- maxwell/13-extsource-bessel.02-carbon-td.inp
- maxwell/13-extsource-bessel.03-enveloped-shifted-bessel.inp
- modelmb/01-cosh_2e_1d.01-gs.inp
- modelmb/02-qd_2e_2d.01-gs.inp
- modelmb/02-qd_2e_2d.02-td.inp
- modelmb/01-cosh_2e_1d.02-td.inp
- multisystem/01-nested_systems.01-two_levels.inp
- multisystem/01-nested_systems.02-three_levels.inp
- multisystem/01-nested_systems.03-four_levels.inp
- multisystem/02-interaction_graph.01-three_body.inp
- multisystem/03-interactions_creation.01-case1.inp
- multisystem/03-interactions_creation.02-case2.inp
- multisystem/03-interactions_creation.03-case3.inp
- multisystem/03-interactions_creation.04-case4.inp
- multisystem/04-propagation_verlet.01-two_body.inp
- multisystem/04-propagation_verlet.02-three_body.inp
- multisystem/04-propagation_verlet.03-two_body_different_time_steps.inp
- multisystem/04-propagation_verlet.04-three_body_different_time_steps.inp
- multisystem/05-propagation_beeman.01-two_body.inp
- multisystem/05-propagation_beeman.02-three_body.inp
- multisystem/05-propagation_beeman.03-two_body_different_time_steps.inp
- multisystem/05-propagation_beeman.04-three_body_different_time_steps.inp
- multisystem/06-propagation_expmid.01-two_body.inp
- multisystem/06-propagation_expmid.02-three_body.inp
- multisystem/06-propagation_expmid.03-two_body_different_time_steps.inp
- multisystem/06-propagation_expmid.04-three_body_different_time_steps.inp
- multisystem/06-propagation_expmid.05-two_body_verlet_half.inp
- multisystem/06-propagation_expmid.06-two_body_verlet.inp
- multisystem/11-dftbplus_ehrenfest.01-benzene.inp
- multisystem/08-coulomb_force.01-classical_helium.inp
- multisystem/10-dftbplus_verlet.01-water.inp
- multisystem/17-lasers.01-length_gauge.inp
- multisystem/12-electronic_subsystem_propagators.01-gs.inp
- multisystem/12-electronic_subsystem_propagators.02-expmid.inp
- multisystem/12-electronic_subsystem_propagators.03-aetrs.inp
- multisystem/13-restart_verlet.03-full-run.inp
- multisystem/14-lennard-jones.01-classical-particles-N2.inp
- multisystem/15-electronic_system_restart.01-gs.inp
- multisystem/15-electronic_system_restart.02-td_full.inp
- multisystem/15-electronic_system_restart.03-td_restart_part1.inp
- multisystem/16-bomd.01-gs.inp
- multisystem/16-bomd.02-td.inp
- multisystem/99-carbon_hydrogen.01-gs.inp
- multisystem/99-carbon_hydrogen.02-td.inp
- multisystem/07-lorentz-force.01-charged_particle_coupled_to_maxwell.inp
- multisystem/07-lorentz-force.02-charged_particle_in_static_efield.inp
- multisystem/07-lorentz-force.03-charged_particle_illegal_propagator.inp
- multisystem/18-incompatible_timing.01-run.inp
- optimal_control/01-asym_doublewell.01-ground_state.inp
- optimal_control/01-asym_doublewell.02-unocc.inp
- optimal_control/01-asym_doublewell.03-oct_run.inp
- optimal_control/01-asym_doublewell.04-oct_run.inp
- optimal_control/01-asym_doublewell.05-oct_run.inp
- optimal_control/02-sym_doublewell.01-ground_state.inp
- optimal_control/02-sym_doublewell.02-unocc.inp
- optimal_control/02-sym_doublewell.03-oct.inp
- optimal_control/03-localtarget.01-gs.inp
- optimal_control/03-localtarget.02-oct.inp
- optimal_control/03-localtarget.03-tdoct.inp
- optimal_control/03-localtarget.04-gs-mp.inp
- optimal_control/03-localtarget.05-oct-mp.inp
- optimal_control/04-box.03-oct_long.inp
- optimal_control/04-box.04-oct_long.inp
- optimal_control/04-box.05-oct_long.inp
- optimal_control/04-box.06-oct_long.inp
- optimal_control/04-box.07-oct_long.inp
- optimal_control/04-box.08-oct_long.inp
- optimal_control/05-adw.01-ground_state.inp
- optimal_control/05-adw.02-unocc.inp
- optimal_control/05-adw.03-filter_fixed.inp
- optimal_control/05-adw.04-filter_indirect.inp
- optimal_control/06-zbr98.02-oct.inp
- optimal_control/07-qoct+tddft.01-ground_state.inp
- optimal_control/07-qoct+tddft.02-oct.inp
- optimal_control/08-velocities.01-ground_state.inp
- optimal_control/08-velocities.02-oct.inp
- optimal_control/09-density+current.01-ground_state.inp
- optimal_control/09-density+current.02-oct.inp
- optimal_control/09-density+current.03-tdoct.inp
- optimal_control/10-current.01-ground_state.inp
- optimal_control/10-current.02-oct.inp
- optimal_control/11-classical.01-ground_state.inp
- optimal_control/11-classical.02-oct.inp
- optimal_control/11-classical.03-oct_taylor.inp
- optimal_control/12-spintarget.01-ground_state.inp
- optimal_control/12-spintarget.02-oct.inp
- optimal_control/13-box-nlopt.03-bobyqa.inp
- optimal_control/13-box-nlopt.04-lbfgs.inp
- optimal_control/04-box.01-ground_state.inp
- optimal_control/04-box.02-unocc.inp
- optimal_control/06-zbr98.01-ground_state.inp
- periodic_systems/01-free_electrons.01-ground_state.inp
- periodic_systems/01-free_electrons.02-unocc.inp
- periodic_systems/02-cosine_potential.01-ground_state.inp
- periodic_systems/02-cosine_potential.02-unocc.inp
- periodic_systems/03-sodium_chain.01-ground_state.inp
- periodic_systems/03-sodium_chain.02-unocc.inp
- periodic_systems/03-sodium_chain.03-ground_state_disp.inp
- periodic_systems/03-sodium_chain.04-unocc_disp.inp
- periodic_systems/06-h2o_pol_lr.01_gs.inp
- periodic_systems/06-h2o_pol_lr.02_kdotp.inp
- periodic_systems/06-h2o_pol_lr.03_emresp.inp
- periodic_systems/07-mgga.01-tb09_gs_symm.inp
- periodic_systems/07-mgga.02-tb09_gs_nosymm.inp
- periodic_systems/07-mgga.03-tb09_td.inp
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