774 lines
68 KiB
HTML
774 lines
68 KiB
HTML
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<title>fix ave/time command — LAMMPS documentation</title>
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<link rel="next" title="fix aveforce command" href="fix_aveforce.html" />
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<div class="lammps_version">Version: <b>19 Nov 2024</b></div>
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<li class="toctree-l1"><a class="reference internal" href="Intro.html">1. Introduction</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Install.html">2. Install LAMMPS</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Build.html">3. Build LAMMPS</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Run_head.html">4. Run LAMMPS</a></li>
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<p class="caption" role="heading"><span class="caption-text">Programmer Guide</span></p>
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<li class="toctree-l1"><a class="reference internal" href="Library.html">1. LAMMPS Library Interfaces</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Python_head.html">2. Use Python with LAMMPS</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Modify.html">3. Modifying & extending LAMMPS</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Developer.html">4. Information for Developers</a></li>
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</ul>
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<p class="caption" role="heading"><span class="caption-text">Command Reference</span></p>
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<ul class="current">
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<li class="toctree-l1"><a class="reference internal" href="commands_list.html">Commands</a></li>
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<li class="toctree-l1 current"><a class="reference internal" href="fixes.html">Fix Styles</a><ul class="current">
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<li class="toctree-l2"><a class="reference internal" href="fix_accelerate_cos.html">fix accelerate/cos command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_acks2_reaxff.html">fix acks2/reaxff command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_adapt.html">fix adapt command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_adapt_fep.html">fix adapt/fep command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_add_heat.html">fix add/heat command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_addforce.html">fix addforce command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_addtorque.html">fix addtorque command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_alchemy.html">fix alchemy command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_amoeba_bitorsion.html">fix amoeba/bitorsion command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_amoeba_pitorsion.html">fix amoeba/pitorsion command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_append_atoms.html">fix append/atoms command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_atc.html">fix atc command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_atom_swap.html">fix atom/swap command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_ave_atom.html">fix ave/atom command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_ave_chunk.html">fix ave/chunk command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate.html">fix ave/correlate command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_ave_correlate_long.html">fix ave/correlate/long command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_ave_grid.html">fix ave/grid command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html">fix ave/histo command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_ave_histo.html#fix-ave-histo-weight-command">fix ave/histo/weight command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_ave_spatial.html">fix ave/spatial command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_ave_spatial_sphere.html">fix ave/spatial/sphere command</a></li>
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<li class="toctree-l2 current"><a class="current reference internal" href="#">fix ave/time command</a><ul>
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<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
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<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
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<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
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<li class="toctree-l3"><a class="reference internal" href="#restart-fix-modify-output-run-start-stop-minimize-info">Restart, fix_modify, output, run start/stop, minimize info</a></li>
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<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
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<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
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<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
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</ul>
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</li>
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<li class="toctree-l2"><a class="reference internal" href="fix_aveforce.html">fix aveforce command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_balance.html">fix balance command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_bocs.html">fix bocs command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_bond_break.html">fix bond/break command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html">fix bond/create command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_bond_create.html#fix-bond-create-angle-command">fix bond/create/angle command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_bond_react.html">fix bond/react command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_bond_swap.html">fix bond/swap command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_box_relax.html">fix box/relax command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_brownian.html">fix brownian command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_brownian.html#fix-brownian-sphere-command">fix brownian/sphere command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_brownian.html#fix-brownian-asphere-command">fix brownian/asphere command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_charge_regulation.html">fix charge/regulation command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_cmap.html">fix cmap command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_colvars.html">fix colvars command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_controller.html">fix controller command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_damping_cundall.html">fix damping/cundall command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_deform.html">fix deform command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_deform_pressure.html">fix deform/pressure command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_deposit.html">fix deposit command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_dpd_energy.html">fix dpd/energy command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_dpd_source.html">fix edpd/source command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_dpd_source.html#fix-tdpd-source-command">fix tdpd/source command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_drag.html">fix drag command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_drude.html">fix drude command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html">fix drude/transform/direct command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_drude_transform.html#fix-drude-transform-inverse-command">fix drude/transform/inverse command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_dt_reset.html">fix dt/reset command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_efield.html">fix efield command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_efield.html#fix-efield-tip4p-command">fix efield/tip4p command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_ehex.html">fix ehex command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_electrode.html">fix electrode/conp command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_electrode.html#fix-electrode-conq-command">fix electrode/conq command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_electrode.html#fix-electrode-thermo-command">fix electrode/thermo command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_electron_stopping.html">fix electron/stopping command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_electron_stopping.html#fix-electron-stopping-fit-command">fix electron/stopping/fit command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_enforce2d.html">fix enforce2d command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_eos_cv.html">fix eos/cv command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_eos_table.html">fix eos/table command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_eos_table_rx.html">fix eos/table/rx command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_evaporate.html">fix evaporate command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_external.html">fix external command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_ffl.html">fix ffl command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_filter_corotate.html">fix filter/corotate command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_flow_gauss.html">fix flow/gauss command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_freeze.html">fix freeze command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_gcmc.html">fix gcmc command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_gld.html">fix gld command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_gle.html">fix gle command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_gravity.html">fix gravity command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_grem.html">fix grem command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_halt.html">fix halt command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_heat.html">fix heat command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_heat_flow.html">fix heat/flow command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_hyper_global.html">fix hyper/global command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_hyper_local.html">fix hyper/local command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_imd.html">fix imd command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_indent.html">fix indent command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_ipi.html">fix ipi command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_langevin.html">fix langevin command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_langevin_drude.html">fix langevin/drude command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_langevin_eff.html">fix langevin/eff command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_langevin_spin.html">fix langevin/spin command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_lb_fluid.html">fix lb/fluid command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_lb_momentum.html">fix lb/momentum command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_lb_viscous.html">fix lb/viscous command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_lineforce.html">fix lineforce command</a></li>
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||
<li class="toctree-l2"><a class="reference internal" href="fix_manifoldforce.html">fix manifoldforce command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_mdi_qm.html">fix mdi/qm command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_mdi_qmmm.html">fix mdi/qmmm command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_meso_move.html">fix meso/move command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_mol_swap.html">fix mol/swap command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html">fix momentum command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_momentum.html#fix-momentum-chunk-command">fix momentum/chunk command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_move.html">fix move command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_msst.html">fix msst command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_mvv_dpd.html">fix mvv/dpd command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_mvv_dpd.html#fix-mvv-edpd-command">fix mvv/edpd command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_mvv_dpd.html#fix-mvv-tdpd-command">fix mvv/tdpd command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_neb.html">fix neb command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_neb_spin.html">fix neb/spin command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_nh.html">fix nvt command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-npt-command">fix npt command</a></li>
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||
<li class="toctree-l2"><a class="reference internal" href="fix_nh.html#fix-nph-command">fix nph command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html">fix nvt/eff command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-npt-eff-command">fix npt/eff command</a></li>
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||
<li class="toctree-l2"><a class="reference internal" href="fix_nh_eff.html#fix-nph-eff-command">fix nph/eff command</a></li>
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||
<li class="toctree-l2"><a class="reference internal" href="fix_nh_uef.html">fix nvt/uef command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_nh_uef.html#fix-npt-uef-command">fix npt/uef command</a></li>
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||
<li class="toctree-l2"><a class="reference internal" href="fix_nonaffine_displacement.html">fix nonaffine/displacement command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="fix_nph_asphere.html">fix nph/asphere command</a></li>
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||
<li class="toctree-l2"><a class="reference internal" href="fix_nph_body.html">fix nph/body command</a></li>
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||
<li class="toctree-l2"><a class="reference internal" href="fix_nph_sphere.html">fix nph/sphere command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_nphug.html">fix nphug command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_npt_asphere.html">fix npt/asphere command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_npt_body.html">fix npt/body command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_npt_cauchy.html">fix npt/cauchy command</a></li>
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||
<li class="toctree-l2"><a class="reference internal" href="fix_npt_sphere.html">fix npt/sphere command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_numdiff.html">fix numdiff command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_numdiff_virial.html">fix numdiff/virial command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_nve.html">fix nve command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere.html">fix nve/asphere command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_nve_asphere_noforce.html">fix nve/asphere/noforce command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_nve_awpmd.html">fix nve/awpmd command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_nve_body.html">fix nve/body command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_nve_bpm_sphere.html">fix nve/bpm/sphere command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_nve_dot.html">fix nve/dot command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_nve_dotc_langevin.html">fix nve/dotc/langevin command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_nve_eff.html">fix nve/eff command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_nve_limit.html">fix nve/limit command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_nve_line.html">fix nve/line command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_nve_manifold_rattle.html">fix nve/manifold/rattle command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_nve_noforce.html">fix nve/noforce command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_nve_sphere.html">fix nve/sphere command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_nve_spin.html">fix nve/spin command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_nve_tri.html">fix nve/tri command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_nvk.html">fix nvk command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_nvt_asphere.html">fix nvt/asphere command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_nvt_body.html">fix nvt/body command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_nvt_manifold_rattle.html">fix nvt/manifold/rattle command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod.html">fix nvt/sllod command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sllod_eff.html">fix nvt/sllod/eff command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_nvt_sphere.html">fix nvt/sphere command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_oneway.html">fix oneway command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_orient.html">fix orient/fcc command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_orient.html#fix-orient-bcc-command">fix orient/bcc command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_orient_eco.html">fix orient/eco command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_pafi.html">fix pafi command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_pair.html">fix pair command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_phonon.html">fix phonon command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html">fix pimd/langevin command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_pimd.html#fix-pimd-nvt-command">fix pimd/nvt command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_pimdb.html">fix pimdb/langevin command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_pimdb.html#fix-pimdb-nvt-command">fix pimdb/nvt command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_planeforce.html">fix planeforce command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_plumed.html">fix plumed command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_poems.html">fix poems command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_polarize.html">fix polarize/bem/gmres command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_polarize.html#fix-polarize-bem-icc-command">fix polarize/bem/icc command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_polarize.html#fix-polarize-functional-command">fix polarize/functional command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_pour.html">fix pour command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_precession_spin.html">fix precession/spin command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_press_berendsen.html">fix press/berendsen command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_press_langevin.html">fix press/langevin command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_print.html">fix print command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_propel_self.html">fix propel/self command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_property_atom.html">fix property/atom command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_python_invoke.html">fix python/invoke command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_python_move.html">fix python/move command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_qbmsst.html">fix qbmsst command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html">fix qeq/point command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-shielded-command">fix qeq/shielded command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-slater-command">fix qeq/slater command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-ctip-command">fix qeq/ctip command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-dynamic-command">fix qeq/dynamic command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_qeq.html#fix-qeq-fire-command">fix qeq/fire command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_qeq_comb.html">fix qeq/comb command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_qeq_reaxff.html">fix qeq/reaxff command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_qmmm.html">fix qmmm command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_qtb.html">fix qtb command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_qtpie_reaxff.html">fix qtpie/reaxff command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_reaxff_bonds.html">fix reaxff/bonds command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_reaxff_species.html">fix reaxff/species command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_recenter.html">fix recenter command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_restrain.html">fix restrain command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_rheo.html">fix rheo command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_rheo_oxidation.html">fix rheo/oxidation command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_rheo_pressure.html">fix rheo/pressure command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_rheo_thermal.html">fix rheo/thermal command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_rheo_viscosity.html">fix rheo/viscosity command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_rhok.html">fix rhok command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html">fix rigid command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-command">fix rigid/nve command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-command">fix rigid/nvt command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-command">fix rigid/npt command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-command">fix rigid/nph command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-small-command">fix rigid/small command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nve-small-command">fix rigid/nve/small command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nvt-small-command">fix rigid/nvt/small command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-npt-small-command">fix rigid/npt/small command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_rigid.html#fix-rigid-nph-small-command">fix rigid/nph/small command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_rigid_meso.html">fix rigid/meso command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_rx.html">fix rx command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_saed_vtk.html">fix saed/vtk command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html">fix setforce command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_setforce.html#fix-setforce-spin-command">fix setforce/spin command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_sgcmc.html">fix sgcmc command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_shake.html">fix shake command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_shake.html#fix-rattle-command">fix rattle command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_shardlow.html">fix shardlow command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_smd.html">fix smd command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_smd_adjust_dt.html">fix smd/adjust_dt command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_tlsph.html">fix smd/integrate_tlsph command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_smd_integrate_ulsph.html">fix smd/integrate_ulsph command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_smd_move_triangulated_surface.html">fix smd/move_tri_surf command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_smd_setvel.html">fix smd/setvel command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_smd_wall_surface.html">fix smd/wall_surface command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_sph.html">fix sph command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_sph_stationary.html">fix sph/stationary command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_spring.html">fix spring command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_spring_chunk.html">fix spring/chunk command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_spring_rg.html">fix spring/rg command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_spring_self.html">fix spring/self command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_srd.html">fix srd command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_store_force.html">fix store/force command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_store_state.html">fix store/state command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_temp_berendsen.html">fix temp/berendsen command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html">fix temp/csvr command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_temp_csvr.html#fix-temp-csld-command">fix temp/csld command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale.html">fix temp/rescale command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_temp_rescale_eff.html">fix temp/rescale/eff command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_tfmc.html">fix tfmc command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_tgnh_drude.html">fix tgnvt/drude command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_tgnh_drude.html#fix-tgnpt-drude-command">fix tgnpt/drude command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_thermal_conductivity.html">fix thermal/conductivity command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_ti_spring.html">fix ti/spring command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_tmd.html">fix tmd command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html">fix ttm command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-grid-command">fix ttm/grid command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_ttm.html#fix-ttm-mod-command">fix ttm/mod command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_tune_kspace.html">fix tune/kspace command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_vector.html">fix vector command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_viscosity.html">fix viscosity command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_viscous.html">fix viscous command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_viscous_sphere.html">fix viscous/sphere command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_wall.html">fix wall/lj93 command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj126-command">fix wall/lj126 command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lj1043-command">fix wall/lj1043 command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-colloid-command">fix wall/colloid command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-harmonic-command">fix wall/harmonic command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-lepton-command">fix wall/lepton command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-morse-command">fix wall/morse command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_wall.html#fix-wall-table-command">fix wall/table command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_wall_body_polygon.html">fix wall/body/polygon command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_wall_body_polyhedron.html">fix wall/body/polyhedron command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_wall_ees.html">fix wall/ees command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_wall_ees.html#fix-wall-region-ees-command">fix wall/region/ees command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_wall_flow.html">fix wall/flow command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran.html">fix wall/gran command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_wall_gran_region.html">fix wall/gran/region command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_wall_piston.html">fix wall/piston command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect.html">fix wall/reflect command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_wall_reflect_stochastic.html">fix wall/reflect/stochastic command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_wall_region.html">fix wall/region command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_wall_srd.html">fix wall/srd command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="fix_widom.html">fix widom command</a></li>
|
||
</ul>
|
||
</li>
|
||
<li class="toctree-l1"><a class="reference internal" href="computes.html">Compute Styles</a></li>
|
||
<li class="toctree-l1"><a class="reference internal" href="pairs.html">Pair Styles</a></li>
|
||
<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
|
||
<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
|
||
<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
|
||
<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
|
||
<li class="toctree-l1"><a class="reference internal" href="dumps.html">Dump Styles</a></li>
|
||
<li class="toctree-l1"><a class="reference internal" href="fix_modify_atc_commands.html">fix_modify AtC commands</a></li>
|
||
<li class="toctree-l1"><a class="reference internal" href="Bibliography.html">Bibliography</a></li>
|
||
</ul>
|
||
|
||
</div>
|
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</div>
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<li><a href="Manual.html" class="icon icon-home" aria-label="Home"></a></li>
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<li class="breadcrumb-item"><a href="fixes.html">Fix Styles</a></li>
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<li class="breadcrumb-item active">fix ave/time command</li>
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<a href="https://www.lammps.org"><img src="_static/lammps-logo.png" width="64" height="16" alt="LAMMPS Homepage"></a> | <a href="Commands_all.html">Commands</a>
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|
||
<a href="fix_aveforce.html" class="btn btn-neutral float-right" title="fix aveforce command" accesskey="n">Next <span class="fa fa-arrow-circle-right" aria-hidden="true"></span></a>
|
||
</div>
|
||
<hr/>
|
||
</div>
|
||
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
|
||
<div itemprop="articleBody">
|
||
|
||
<p><span class="math notranslate nohighlight">\(\renewcommand{\AA}{\text{Å}}\)</span></p>
|
||
<section id="fix-ave-time-command">
|
||
<span id="index-0"></span><h1>fix ave/time command<a class="headerlink" href="#fix-ave-time-command" title="Link to this heading"></a></h1>
|
||
<section id="syntax">
|
||
<h2>Syntax<a class="headerlink" href="#syntax" title="Link to this heading"></a></h2>
|
||
<div class="highlight-LAMMPS notranslate"><div class="highlight"><pre><span></span><span class="k">fix </span><span class="nv nv-Identifier">ID</span><span class="w"> </span><span class="nv nv-Identifier">group-ID</span><span class="w"> </span><span class="n">ave</span><span class="o">/</span><span class="n">time</span><span class="w"> </span><span class="n">Nevery</span><span class="w"> </span><span class="n">Nrepeat</span><span class="w"> </span><span class="n">Nfreq</span><span class="w"> </span><span class="n">value1</span><span class="w"> </span><span class="n">value2</span><span class="w"> </span><span class="n">...</span><span class="w"> </span><span class="n">keyword</span><span class="w"> </span><span class="n">args</span><span class="w"> </span><span class="n">...</span>
|
||
</pre></div>
|
||
</div>
|
||
<ul>
|
||
<li><p>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</p></li>
|
||
<li><p>ave/time = style name of this fix command</p></li>
|
||
<li><p>Nevery = use input values every this many time steps</p></li>
|
||
<li><p>Nrepeat = # of times to use input values for calculating averages</p></li>
|
||
<li><p>Nfreq = calculate averages every this many time steps</p></li>
|
||
<li><p>one or more input values can be listed</p></li>
|
||
<li><p>value = c_ID, c_ID[N], f_ID, f_ID[N], v_name</p>
|
||
<div class="highlight-none notranslate"><div class="highlight"><pre><span></span>c_ID = global scalar or vector calculated by a compute with ID
|
||
c_ID[I] = Ith component of global vector or Ith column of global array calculated by a compute with ID, I can include wildcard (see below)
|
||
f_ID = global scalar or vector calculated by a fix with ID
|
||
f_ID[I] = Ith component of global vector or Ith column of global array calculated by a fix with ID, I can include wildcard (see below)
|
||
v_name = value(s) calculated by an equal-style or vector-style variable with name
|
||
v_name[I] = value calculated by a vector-style variable with name, I can include wildcard (see below)
|
||
</pre></div>
|
||
</div>
|
||
</li>
|
||
<li><p>zero or more keyword/arg pairs may be appended</p></li>
|
||
<li><p>keyword = <em>mode</em> or <em>file</em> or <em>append</em> or <em>ave</em> or <em>start</em> or <em>off</em> or <em>overwrite</em> or <em>format</em> or <em>title1</em> or <em>title2</em> or <em>title3</em></p>
|
||
<pre class="literal-block"><em>mode</em> arg = <em>scalar</em> or <em>vector</em>
|
||
scalar = all input values are global scalars
|
||
vector = all input values are global vectors or global arrays
|
||
<em>ave</em> args = <em>one</em> or <em>running</em> or <em>window M</em>
|
||
one = output a new average value every Nfreq steps
|
||
running = output cumulative average of all previous Nfreq steps
|
||
window M = output average of M most recent Nfreq steps
|
||
<em>start</em> args = Nstart
|
||
Nstart = start averaging on this time step
|
||
<em>off</em> arg = M = do not average this value
|
||
M = value # from 1 to Nvalues
|
||
<em>file</em> arg = filename
|
||
filename = name of file to output time averages to
|
||
<em>append</em> arg = filename
|
||
filename = name of file to append time averages to
|
||
<em>overwrite</em> arg = none = overwrite output file with only latest output
|
||
<em>format</em> arg = string
|
||
string = C-style format string
|
||
<em>title1</em> arg = string
|
||
string = text to print as 1st line of output file
|
||
<em>title2</em> arg = string
|
||
string = text to print as 2nd line of output file
|
||
<em>title3</em> arg = string
|
||
string = text to print as 3rd line of output file, only for vector mode</pre>
|
||
</li>
|
||
</ul>
|
||
</section>
|
||
<section id="examples">
|
||
<h2>Examples<a class="headerlink" href="#examples" title="Link to this heading"></a></h2>
|
||
<div class="highlight-LAMMPS notranslate"><div class="highlight"><pre><span></span><span class="k">fix </span><span class="nv nv-Identifier">1</span><span class="w"> </span><span class="nv nv-Identifier">all</span><span class="w"> </span><span class="n">ave</span><span class="o">/</span><span class="n">time</span><span class="w"> </span><span class="m">100</span><span class="w"> </span><span class="m">5</span><span class="w"> </span><span class="m">1000</span><span class="w"> </span><span class="n">c_myTemp</span><span class="w"> </span><span class="n">c_thermo_temp</span><span class="w"> </span><span class="n">file</span><span class="w"> </span><span class="n">temp.profile</span>
|
||
<span class="k">fix </span><span class="nv nv-Identifier">1</span><span class="w"> </span><span class="nv nv-Identifier">all</span><span class="w"> </span><span class="n">ave</span><span class="o">/</span><span class="n">time</span><span class="w"> </span><span class="m">100</span><span class="w"> </span><span class="m">5</span><span class="w"> </span><span class="m">1000</span><span class="w"> </span><span class="n">c_thermo_press[2]</span><span class="w"> </span><span class="n">ave</span><span class="w"> </span><span class="n">window</span><span class="w"> </span><span class="m">20</span><span class="w"> </span><span class="o">&</span>
|
||
<span class="w"> </span><span class="n">title1</span><span class="w"> </span><span class="s">"My output values"</span>
|
||
<span class="k">fix </span><span class="nv nv-Identifier">1</span><span class="w"> </span><span class="nv nv-Identifier">all</span><span class="w"> </span><span class="n">ave</span><span class="o">/</span><span class="n">time</span><span class="w"> </span><span class="m">100</span><span class="w"> </span><span class="m">5</span><span class="w"> </span><span class="m">1000</span><span class="w"> </span><span class="n">c_thermo_press[</span><span class="o">*</span><span class="n">]</span>
|
||
<span class="k">fix </span><span class="nv nv-Identifier">1</span><span class="w"> </span><span class="nv nv-Identifier">all</span><span class="w"> </span><span class="n">ave</span><span class="o">/</span><span class="n">time</span><span class="w"> </span><span class="m">1</span><span class="w"> </span><span class="m">100</span><span class="w"> </span><span class="m">1000</span><span class="w"> </span><span class="n">f_indent</span><span class="w"> </span><span class="n">f_indent[1]</span><span class="w"> </span><span class="n">file</span><span class="w"> </span><span class="n">temp.indent</span><span class="w"> </span><span class="n">off</span><span class="w"> </span><span class="m">1</span>
|
||
</pre></div>
|
||
</div>
|
||
</section>
|
||
<section id="description">
|
||
<h2>Description<a class="headerlink" href="#description" title="Link to this heading"></a></h2>
|
||
<p>Use one or more global values as inputs every few time steps, and
|
||
average them over longer timescales. The resulting averages can be
|
||
used by other <a class="reference internal" href="Howto_output.html"><span class="doc">output commands</span></a> such as
|
||
<a class="reference internal" href="thermo_style.html"><span class="doc">thermo_style custom</span></a>, and can also be written to a
|
||
file. Note that if no time averaging is done, this command can be
|
||
used as a convenient way to simply output one or more global values to
|
||
a file.</p>
|
||
<p>The group specified with this command is ignored. However, note that
|
||
specified values may represent calculations performed by computes and
|
||
fixes which store their own “group” definitions.</p>
|
||
<p>Each listed value can be the result of a <a class="reference internal" href="compute.html"><span class="doc">compute</span></a> or
|
||
<a class="reference internal" href="fix.html"><span class="doc">fix</span></a> or the evaluation of an equal-style or vector-style
|
||
<a class="reference internal" href="variable.html"><span class="doc">variable</span></a>. In each case, the compute, fix, or variable
|
||
must produce a global quantity, not a per-atom or local quantity. If
|
||
you wish to spatial- or time-average or histogram per-atom quantities
|
||
from a compute, fix, or variable, then see the
|
||
<a class="reference internal" href="fix_ave_chunk.html"><span class="doc">fix ave/chunk</span></a>, <a class="reference internal" href="fix_ave_atom.html"><span class="doc">fix ave/atom</span></a>,
|
||
or <a class="reference internal" href="fix_ave_histo.html"><span class="doc">fix ave/histo</span></a> commands. If you wish to sum a
|
||
per-atom quantity into a single global quantity, see the
|
||
<a class="reference internal" href="compute_reduce.html"><span class="doc">compute reduce</span></a> command.</p>
|
||
<p><a class="reference internal" href="compute.html"><span class="doc">Computes</span></a> that produce global quantities are those which
|
||
do not have the word <em>atom</em> in their style name. Only a few
|
||
<a class="reference internal" href="fix.html"><span class="doc">fixes</span></a> produce global quantities. See the doc pages for
|
||
individual fixes for info on which ones produce such values.
|
||
<a class="reference internal" href="variable.html"><span class="doc">Variables</span></a> of style <em>equal</em> and <em>vector</em> are the only
|
||
ones that can be used with this fix. Variables of style <em>atom</em> cannot
|
||
be used, since they produce per-atom values.</p>
|
||
<p>The input values must either be all scalars or all vectors depending
|
||
on the setting of the <em>mode</em> keyword. In both cases, the averaging is
|
||
performed independently on each input value (i.e., each input scalar
|
||
is averaged independently or each element of each input vector is
|
||
averaged independently).</p>
|
||
<p>If <em>mode</em> = scalar, then the input values must be scalars, or vectors
|
||
with a bracketed term appended, indicating the <span class="math notranslate nohighlight">\(I^\text{th}\)</span> value of the
|
||
vector is used.</p>
|
||
<p>If <em>mode</em> = vector, then the input values must be vectors, or arrays
|
||
with a bracketed term appended, indicating the Ith column of the array
|
||
is used. All vectors must be the same length, which is the length of
|
||
the vector or number of rows in the array.</p>
|
||
<hr class="docutils" />
|
||
<p>For input values from a compute or fix or variable, the bracketed
|
||
index I can be specified using a wildcard asterisk with the index to
|
||
effectively specify multiple values. This takes the form “*” or
|
||
“*n” or “m*” or “m*n”. If <span class="math notranslate nohighlight">\(N\)</span> is the size of the vector (for <em>mode</em> =
|
||
scalar) or the number of columns in the array (for <em>mode</em> = vector),
|
||
then an asterisk with no numeric values means all indices from 1 to <span class="math notranslate nohighlight">\(N\)</span>.
|
||
A leading asterisk means all indices from 1 to n (inclusive). A trailing
|
||
asterisk means all indices from n to <span class="math notranslate nohighlight">\(N\)</span> (inclusive). A middle asterisk
|
||
means all indices from m to n (inclusive).</p>
|
||
<p>Using a wildcard is the same as if the individual elements of the
|
||
vector or columns of the array had been listed one by one. For example, the
|
||
following two fix ave/time commands are equivalent, since the <a class="reference internal" href="compute_rdf.html"><span class="doc">compute rdf</span></a> command creates, in this case, a global array with three
|
||
columns, each of length 50:</p>
|
||
<div class="highlight-LAMMPS notranslate"><div class="highlight"><pre><span></span><span class="k">compute </span><span class="nv nv-Identifier">myRDF</span><span class="w"> </span><span class="nv nv-Identifier">all</span><span class="w"> </span><span class="n">rdf</span><span class="w"> </span><span class="m">50</span><span class="w"> </span><span class="m">1</span><span class="w"> </span><span class="m">2</span>
|
||
<span class="k">fix </span><span class="nv nv-Identifier">1</span><span class="w"> </span><span class="nv nv-Identifier">all</span><span class="w"> </span><span class="n">ave</span><span class="o">/</span><span class="n">time</span><span class="w"> </span><span class="m">100</span><span class="w"> </span><span class="m">1</span><span class="w"> </span><span class="m">100</span><span class="w"> </span><span class="n">c_myRDF[</span><span class="o">*</span><span class="n">]</span><span class="w"> </span><span class="n">file</span><span class="w"> </span><span class="n">tmp1.rdf</span><span class="w"> </span><span class="n">mode</span><span class="w"> </span><span class="n">vector</span>
|
||
<span class="k">fix </span><span class="nv nv-Identifier">2</span><span class="w"> </span><span class="nv nv-Identifier">all</span><span class="w"> </span><span class="n">ave</span><span class="o">/</span><span class="n">time</span><span class="w"> </span><span class="m">100</span><span class="w"> </span><span class="m">1</span><span class="w"> </span><span class="m">100</span><span class="w"> </span><span class="n">c_myRDF[1]</span><span class="w"> </span><span class="n">c_myRDF[2]</span><span class="w"> </span><span class="n">c_myRDF[3]</span><span class="w"> </span><span class="n">file</span><span class="w"> </span><span class="n">tmp2.rdf</span><span class="w"> </span><span class="n">mode</span><span class="w"> </span><span class="n">vector</span>
|
||
</pre></div>
|
||
</div>
|
||
<div class="admonition note">
|
||
<p class="admonition-title">Note</p>
|
||
<p>For a vector-style variable, only the wildcard forms “*n” or
|
||
“m*n” are allowed. You must specify the upper bound, because
|
||
vector-style variable lengths are not determined until the variable
|
||
is evaluated. If n is specified larger than the vector length
|
||
turns out to be, zeroes are output for missing vector values.</p>
|
||
</div>
|
||
<hr class="docutils" />
|
||
<p>The <span class="math notranslate nohighlight">\(N_\text{every}\)</span>, <span class="math notranslate nohighlight">\(N_\text{repeat}\)</span>, and <span class="math notranslate nohighlight">\(N_\text{freq}\)</span>
|
||
arguments specify on what time steps the input values will be used in order to
|
||
contribute to the average. The final averaged quantities are generated on
|
||
time steps that are a multiple of <span class="math notranslate nohighlight">\(N_\text{freq}\)</span>. The average is over
|
||
<span class="math notranslate nohighlight">\(N_\text{repeat}\)</span> quantities, computed in the preceding portion of the
|
||
simulation every <span class="math notranslate nohighlight">\(N_\text{every}\)</span> time steps. <span class="math notranslate nohighlight">\(N_\text{freq}\)</span> must
|
||
be a multiple of <span class="math notranslate nohighlight">\(N_\text{every}\)</span> and <span class="math notranslate nohighlight">\(N_\text{every}\)</span> must be
|
||
non-zero even if <span class="math notranslate nohighlight">\(N_\text{repeat} = 1\)</span>. Also, the time steps
|
||
contributing to the average value cannot overlap (i.e.,
|
||
<span class="math notranslate nohighlight">\(N_\text{repeat} \times N_\text{every}\)</span> cannot exceed <span class="math notranslate nohighlight">\(N_\text{freq}\)</span>).</p>
|
||
<p>For example, if <span class="math notranslate nohighlight">\(N_\text{every}=2\)</span>, <span class="math notranslate nohighlight">\(N_\text{repeat}=6\)</span>, and
|
||
<span class="math notranslate nohighlight">\(N_\text{freq}=100\)</span>, then values on time steps 90, 92, 94, 96, 98, and
|
||
100 will be used to compute the final average on time step 100. Similarly for
|
||
time steps 190, 192, 194, 196, 198, and 200 on time step 200, etc.
|
||
If <span class="math notranslate nohighlight">\(N_\text{repeat}=1\)</span> and <span class="math notranslate nohighlight">\(N_\text{freq} = 100\)</span>, then no time
|
||
averaging is done; values are simply generated on time steps
|
||
100, 200, etc.</p>
|
||
<hr class="docutils" />
|
||
<p>If a value begins with “c_”, a compute ID must follow which has been
|
||
previously defined in the input script. If <em>mode</em> = scalar, then if
|
||
no bracketed term is appended, the global scalar calculated by the
|
||
compute is used. If a bracketed term is appended, the Ith element of
|
||
the global vector calculated by the compute is used. If <em>mode</em> =
|
||
vector, then if no bracketed term is appended, the global vector
|
||
calculated by the compute is used. If a bracketed term is appended,
|
||
the Ith column of the global array calculated by the compute is used.
|
||
See the discussion above for how I can be specified with a wildcard
|
||
asterisk to effectively specify multiple values.</p>
|
||
<p>Note that there is a <a class="reference internal" href="compute_reduce.html"><span class="doc">compute reduce</span></a> command
|
||
that can sum per-atom quantities into a global scalar or vector, which
|
||
can then be accessed by fix ave/time. It can also be a compute defined
|
||
not in your input script, but by <a class="reference internal" href="thermo_style.html"><span class="doc">thermodynamic output</span></a> or other fixes such as <a class="reference internal" href="fix_nh.html"><span class="doc">fix nvt</span></a> or
|
||
<a class="reference internal" href="fix_temp_rescale.html"><span class="doc">fix temp/rescale</span></a>. See the doc pages for
|
||
these commands which give the IDs of these computes. Users can also
|
||
write code for their own compute styles and <a class="reference internal" href="Modify.html"><span class="doc">add them to LAMMPS</span></a>.</p>
|
||
<p>If a value begins with “f_”, a fix ID must follow which has been
|
||
previously defined in the input script. If <em>mode</em> = scalar, then if
|
||
no bracketed term is appended, the global scalar calculated by the fix
|
||
is used. If a bracketed term is appended, the Ith element of the
|
||
global vector calculated by the fix is used. If <em>mode</em> = vector, then
|
||
if no bracketed term is appended, the global vector calculated by the
|
||
fix is used. If a bracketed term is appended, the Ith column of the
|
||
global array calculated by the fix is used. See the discussion above
|
||
for how I can be specified with a wildcard asterisk to effectively
|
||
specify multiple values.</p>
|
||
<p>Note that some fixes only produce their values on certain time steps,
|
||
which must be compatible with <em>Nevery</em>, else an error will result.
|
||
Users can also write code for their own fix styles and <a class="reference internal" href="Modify.html"><span class="doc">add them to LAMMPS</span></a>.</p>
|
||
<p>If a value begins with “v_”, a variable name must follow which has
|
||
been previously defined in the input script. If <em>mode</em> = scalar, then
|
||
only equal-style or vector-style variables can be used, which both
|
||
produce global values. In this mode, a vector-style variable requires
|
||
a bracketed term to specify the Ith element of the vector calculated
|
||
by the variable. If <em>mode</em> = vector, then only a vector-style
|
||
variable can be used, without a bracketed term. See the
|
||
<a class="reference internal" href="variable.html"><span class="doc">variable</span></a> command for details.</p>
|
||
<p>Note that variables of style <em>equal</em> and <em>vector</em> define a formula
|
||
which can reference individual atom properties or thermodynamic
|
||
keywords, or they can invoke other computes, fixes, or variables when
|
||
they are evaluated, so this is a very general means of specifying
|
||
quantities to time average.</p>
|
||
<hr class="docutils" />
|
||
<p>Additional optional keywords also affect the operation of this fix.</p>
|
||
<p>If the <em>mode</em> keyword is set to <em>scalar</em>, then all input values must
|
||
be global scalars, or elements of global vectors. If the <em>mode</em>
|
||
keyword is set to <em>vector</em>, then all input values must be global
|
||
vectors, or columns of global arrays. They can also be global arrays,
|
||
which are converted into a series of global vectors (one per column),
|
||
as explained above.</p>
|
||
<p>The <em>ave</em> keyword determines how the values produced every
|
||
<span class="math notranslate nohighlight">\(N_\text{freq}\)</span> steps are averaged with values produced on previous steps
|
||
that were multiples of <span class="math notranslate nohighlight">\(N_\text{freq}\)</span>, before they are accessed by
|
||
another output command or written to a file.</p>
|
||
<p>If the <em>ave</em> setting is <em>one</em>, then the values produced on time steps
|
||
that are multiples of <span class="math notranslate nohighlight">\(N_\text{freq}\)</span> are independent of each other; they
|
||
are output as-is without further averaging.</p>
|
||
<p>If the <em>ave</em> setting is <em>running</em>, then the values produced on
|
||
time steps that are multiples of <span class="math notranslate nohighlight">\(N_\text{freq}\)</span> are summed and averaged
|
||
in a cumulative sense before being output. Each output value is thus the
|
||
average of the value produced on that time step with all preceding
|
||
values. This running average begins when the fix is defined; it can
|
||
only be restarted by deleting the fix via the <a class="reference internal" href="unfix.html"><span class="doc">unfix</span></a>
|
||
command, or by re-defining the fix by re-specifying it.</p>
|
||
<p>If the <em>ave</em> setting is <em>window</em>, then the values produced on
|
||
time steps that are multiples of <em>Nfreq</em> are summed and averaged within
|
||
a moving “window” of time, so that the last M values are used to
|
||
produce the output. For example, if <span class="math notranslate nohighlight">\(M = 3\)</span> and
|
||
<span class="math notranslate nohighlight">\(N_\text{freq} = 1000\)</span>, then the output on step 10000 will be the average
|
||
of the individual values on steps 8000, 9000, and 10000. Outputs on early
|
||
steps will average over less than <span class="math notranslate nohighlight">\(M\)</span> values if they are not available.</p>
|
||
<p>The <em>start</em> keyword specifies what time step averaging will begin on.
|
||
The default is step 0. Often input values can be 0.0 at time 0, so
|
||
setting <em>start</em> to a larger value can avoid including a 0.0 in a
|
||
running or windowed average.</p>
|
||
<p>The <em>off</em> keyword can be used to flag any of the input values. If a
|
||
value is flagged, it will not be time averaged. Instead the most
|
||
recent input value will always be stored and output. This is useful
|
||
if one of more of the inputs produced by a compute or fix or variable
|
||
are effectively constant or are simply current values (e.g., they are
|
||
being written to a file with other time-averaged values for purposes
|
||
of creating well-formatted output).</p>
|
||
<div class="versionadded">
|
||
<p><span class="versionmodified added">Added in version 17Apr2024: </span>new keyword <em>append</em></p>
|
||
</div>
|
||
<p>The <em>file</em> or <em>append</em> keywords allow a filename to be specified. If
|
||
<em>file</em> is used, then the filename is overwritten if it already exists.
|
||
If <em>append</em> is used, then the filename is appended to if it already
|
||
exists, or created if it does not exist. Every <em>Nfreq</em> steps, one
|
||
quantity or vector of quantities is written to the file for each input
|
||
value specified in the fix ave/time command. For <em>mode</em> = scalar, this
|
||
means a single line is written each time output is performed. Thus the
|
||
file ends up to be a series of lines, i.e. one column of numbers for
|
||
each input value. For <em>mode</em> = vector, an array of numbers is written
|
||
each time output is performed. The number of rows is the length of the
|
||
input vectors, and the number of columns is the number of values. Thus
|
||
the file ends up to be a series of these array sections.</p>
|
||
<div class="versionadded">
|
||
<p><span class="versionmodified added">Added in version 4May2022.</span></p>
|
||
</div>
|
||
<p>If the filename ends in ‘.yaml’ or ‘.yml’ then the output format
|
||
conforms to the <a class="reference external" href="https://yaml.org/">YAML standard</a> which allows
|
||
easy import that data into tools and scripts that support reading YAML
|
||
files. The <a class="reference internal" href="Howto_structured_data.html"><span class="doc">structured data Howto</span></a> contains
|
||
examples for parsing and plotting such data with very little programming
|
||
effort in Python using the <em>pyyaml</em>, <em>pandas</em>, and <em>matplotlib</em>
|
||
packages.</p>
|
||
<p>The <em>overwrite</em> keyword will continuously overwrite the output file
|
||
with the latest output, so that it only contains one time step worth of
|
||
output. This option can only be used with the <em>ave running</em> setting.</p>
|
||
<p>The <em>format</em> keyword sets the numeric format of each value when it is
|
||
printed to a file via the <em>file</em> keyword. Note that all values are
|
||
floating point quantities. The default format is %g. You can specify
|
||
a higher precision if desired (e.g., %20.16g).</p>
|
||
<p>The <em>title1</em> and <em>title2</em> and <em>title3</em> keywords allow specification of
|
||
the strings that will be printed as the first 2 or 3 lines of the
|
||
output file, assuming the <em>file</em> keyword was used. LAMMPS uses
|
||
default values for each of these, so they do not need to be specified.</p>
|
||
<p>By default, these header lines are as follows for <em>mode</em> = scalar:</p>
|
||
<div class="highlight-none notranslate"><div class="highlight"><pre><span></span># Time-averaged data for fix ID
|
||
# TimeStep value1 value2 ...
|
||
</pre></div>
|
||
</div>
|
||
<p>In the first line, ID is replaced with the fix-ID. In the second line
|
||
the values are replaced with the appropriate fields from the fix
|
||
ave/time command. There is no third line in the header of the file,
|
||
so the <em>title3</em> setting is ignored when <em>mode</em> = scalar.</p>
|
||
<p>By default, these header lines are as follows for <em>mode</em> = vector:</p>
|
||
<div class="highlight-none notranslate"><div class="highlight"><pre><span></span># Time-averaged data for fix ID
|
||
# TimeStep Number-of-rows
|
||
# Row value1 value2 ...
|
||
</pre></div>
|
||
</div>
|
||
<p>In the first line, ID is replaced with the fix-ID. The second line
|
||
describes the two values that are printed at the first of each section
|
||
of output. In the third line the values are replaced with the
|
||
appropriate fields from the fix ave/time command.</p>
|
||
</section>
|
||
<hr class="docutils" />
|
||
<section id="restart-fix-modify-output-run-start-stop-minimize-info">
|
||
<h2>Restart, fix_modify, output, run start/stop, minimize info<a class="headerlink" href="#restart-fix-modify-output-run-start-stop-minimize-info" title="Link to this heading"></a></h2>
|
||
<div class="versionadded">
|
||
<p><span class="versionmodified added">Added in version 4May2022.</span></p>
|
||
</div>
|
||
<p>No information about this fix is written to <a class="reference internal" href="restart.html"><span class="doc">binary restart files</span></a>. The <a class="reference internal" href="fix_modify.html"><span class="doc">fix_modify colname</span></a> option can be
|
||
used to change the name of the column in the output file. When writing
|
||
a YAML format file this name will be in the list of keywords.</p>
|
||
<p>This fix produces a global scalar or global vector or global array
|
||
which can be accessed by various <a class="reference internal" href="Howto_output.html"><span class="doc">output commands</span></a>.
|
||
The values can only be accessed on time steps that are multiples of
|
||
<span class="math notranslate nohighlight">\(N_\text{freq}\)</span> since that is when averaging is performed.</p>
|
||
<p>A scalar is produced if only a single input value is averaged and
|
||
<em>mode</em> = scalar. A vector is produced if multiple input values are
|
||
averaged for <em>mode</em> = scalar, or a single input value for <em>mode</em> =
|
||
vector. In the first case, the length of the vector is the number of
|
||
inputs. In the second case, the length of the vector is the same as
|
||
the length of the input vector. An array is produced if multiple
|
||
input values are averaged and <em>mode</em> = vector. The global array has #
|
||
of rows = length of the input vectors and # of columns = number of
|
||
inputs.</p>
|
||
<p>If the fix produces a scalar or vector, then the scalar and each
|
||
element of the vector can be either “intensive” or “extensive”,
|
||
depending on whether the values contributing to the scalar or vector
|
||
element are “intensive” or “extensive”. If the fix produces an array,
|
||
then all elements in the array must be the same, either “intensive” or
|
||
“extensive”. If a compute or fix provides the value being time
|
||
averaged, then the compute or fix determines whether the value is
|
||
intensive or extensive; see the page for that compute or fix for
|
||
further info. Values produced by a variable are treated as intensive.</p>
|
||
<p>No parameter of this fix can be used with the <em>start/stop</em> keywords of
|
||
the <a class="reference internal" href="run.html"><span class="doc">run</span></a> command. This fix is not invoked during
|
||
<a class="reference internal" href="minimize.html"><span class="doc">energy minimization</span></a>.</p>
|
||
</section>
|
||
<section id="restrictions">
|
||
<h2>Restrictions<a class="headerlink" href="#restrictions" title="Link to this heading"></a></h2>
|
||
<blockquote>
|
||
<div><p>none</p>
|
||
</div></blockquote>
|
||
</section>
|
||
<section id="related-commands">
|
||
<h2>Related commands<a class="headerlink" href="#related-commands" title="Link to this heading"></a></h2>
|
||
<p><a class="reference internal" href="compute.html"><span class="doc">compute</span></a>, <a class="reference internal" href="fix_ave_atom.html"><span class="doc">fix ave/atom</span></a>,
|
||
<a class="reference internal" href="fix_ave_chunk.html"><span class="doc">fix ave/chunk</span></a>, <a class="reference internal" href="fix_ave_histo.html"><span class="doc">fix ave/histo</span></a>,
|
||
<a class="reference internal" href="variable.html"><span class="doc">variable</span></a>, <a class="reference internal" href="fix_ave_correlate.html"><span class="doc">fix ave/correlate</span></a>,</p>
|
||
</section>
|
||
<section id="default">
|
||
<h2>Default<a class="headerlink" href="#default" title="Link to this heading"></a></h2>
|
||
<p>The option defaults are mode = scalar, ave = one, start = 0, no file
|
||
output, format = %g, title 1,2,3 = strings as described above, and no
|
||
off settings for any input values.</p>
|
||
</section>
|
||
</section>
|
||
|
||
|
||
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|
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