2016-05-10 01:33:12 +08:00
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2016-09-14 08:22:17 +08:00
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2016-05-10 01:33:12 +08:00
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< li class = "toctree-l1" > < a class = "reference internal" href = "Section_intro.html" > 1. Introduction< / a > < / li >
< li class = "toctree-l1" > < a class = "reference internal" href = "Section_start.html" > 2. Getting Started< / a > < / li >
< li class = "toctree-l1" > < a class = "reference internal" href = "Section_commands.html" > 3. Commands< / a > < / li >
< li class = "toctree-l1" > < a class = "reference internal" href = "Section_packages.html" > 4. Packages< / a > < / li >
< li class = "toctree-l1" > < a class = "reference internal" href = "Section_accelerate.html" > 5. Accelerating LAMMPS performance< / a > < / li >
< li class = "toctree-l1" > < a class = "reference internal" href = "Section_howto.html" > 6. How-to discussions< / a > < / li >
< li class = "toctree-l1" > < a class = "reference internal" href = "Section_example.html" > 7. Example problems< / a > < / li >
< li class = "toctree-l1" > < a class = "reference internal" href = "Section_perf.html" > 8. Performance & scalability< / a > < / li >
< li class = "toctree-l1" > < a class = "reference internal" href = "Section_tools.html" > 9. Additional tools< / a > < / li >
< li class = "toctree-l1" > < a class = "reference internal" href = "Section_modify.html" > 10. Modifying & extending LAMMPS< / a > < / li >
< li class = "toctree-l1" > < a class = "reference internal" href = "Section_python.html" > 11. Python interface to LAMMPS< / a > < / li >
< li class = "toctree-l1" > < a class = "reference internal" href = "Section_errors.html" > 12. Errors< / a > < / li >
< li class = "toctree-l1" > < a class = "reference internal" href = "Section_history.html" > 13. Future and history< / a > < / li >
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2016-09-14 08:22:17 +08:00
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< li class = "toctree-l1" > < a class = "reference internal" href = "tutorials.html" > Tutorials< / a > < / li >
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< li class = "toctree-l1 current" > < a class = "reference internal" href = "fixes.html" > Fixes< / a > < ul class = "current" >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_adapt.html" > fix adapt command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_adapt_fep.html" > fix adapt/fep command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_addforce.html" > fix addforce command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_addtorque.html" > fix addtorque command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_append_atoms.html" > fix append/atoms command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_atc.html" > fix atc command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_atom_swap.html" > fix atom/swap command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_ave_atom.html" > fix ave/atom command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_ave_chunk.html" > fix ave/chunk command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_ave_correlate.html" > fix ave/correlate command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_ave_correlate_long.html" > fix ave/correlate/long command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_ave_histo.html" > fix ave/histo command< / a > < / li >
< 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 >
< li class = "toctree-l2 current" > < a class = "current reference internal" href = "#" > fix ave/time command< / a > < ul >
< li class = "toctree-l3" > < a class = "reference internal" href = "#syntax" > Syntax< / a > < / li >
< li class = "toctree-l3" > < a class = "reference internal" href = "#examples" > Examples< / a > < / li >
< li class = "toctree-l3" > < a class = "reference internal" href = "#description" > Description< / a > < / li >
< li class = "toctree-l3" > < a class = "reference internal" href = "#restrictions" > Restrictions< / a > < / li >
< li class = "toctree-l3" > < a class = "reference internal" href = "#related-commands" > Related commands< / a > < / li >
< li class = "toctree-l3" > < a class = "reference internal" href = "#default" > Default< / a > < / li >
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< li class = "toctree-l2" > < a class = "reference internal" href = "fix_aveforce.html" > fix aveforce command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_balance.html" > fix balance command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_bond_break.html" > fix bond/break command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_bond_create.html" > fix bond/create command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_bond_swap.html" > fix bond/swap command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_box_relax.html" > fix box/relax command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_colvars.html" > fix colvars command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_controller.html" > fix controller command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_deform.html" > fix deform command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_deform.html#fix-deform-kk-command" > fix deform/kk command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_deposit.html" > fix deposit command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_drag.html" > fix drag command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_drude.html" > fix drude command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_drude_transform.html" > fix drude/transform/direct command< / a > < / li >
< 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 >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_dt_reset.html" > fix dt/reset command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_efield.html" > fix efield command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_ehex.html" > fix ehex command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_enforce2d.html" > fix enforce2d command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_eos_cv.html" > fix eos/cv command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_eos_table.html" > fix eos/table command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_eos_table_rx.html" > fix eos/table/rx command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_evaporate.html" > fix evaporate command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_external.html" > fix external command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_flow_gauss.html" > fix flow/gauss command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_freeze.html" > fix freeze command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_gcmc.html" > fix gcmc command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_gld.html" > fix gld command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_gle.html" > fix gle command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_gravity.html" > fix gravity command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_gravity.html#fix-gravity-omp-command" > fix gravity/omp command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_heat.html" > fix heat command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_imd.html" > fix imd command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_indent.html" > fix indent command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_ipi.html" > fix ipi command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_langevin.html" > fix langevin command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_langevin.html#fix-langevin-kk-command" > fix langevin/kk command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_langevin_drude.html" > fix langevin/drude command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_langevin_eff.html" > fix langevin/eff command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_lb_fluid.html" > fix lb/fluid command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_lb_momentum.html" > fix lb/momentum command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_lb_pc.html" > fix lb/pc command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_lb_rigid_pc_sphere.html" > fix lb/rigid/pc/sphere command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_lb_viscous.html" > fix lb/viscous command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_lineforce.html" > fix lineforce command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_manifoldforce.html" > fix manifoldforce command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_meso.html" > fix meso command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_meso_stationary.html" > fix meso/stationary command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_momentum.html" > fix momentum command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_move.html" > fix move command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_msst.html" > fix msst command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_neb.html" > fix neb command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_nh.html" > fix nvt command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_nh.html#fix-nvt-intel-command" > fix nvt/intel command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_nh.html#fix-nvt-kk-command" > fix nvt/kk command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_nh.html#fix-nvt-omp-command" > fix nvt/omp command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_nh.html#fix-npt-command" > fix npt command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_nh.html#fix-npt-intel-command" > fix npt/intel command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_nh.html#fix-npt-kk-command" > fix npt/kk command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_nh.html#fix-npt-omp-command" > fix npt/omp command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_nh.html#fix-nph-command" > fix nph command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_nh.html#fix-nph-kk-command" > fix nph/kk command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_nh.html#fix-nph-omp-command" > fix nph/omp command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_nh_eff.html" > fix nvt/eff command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_nh_eff.html#fix-npt-eff-command" > fix npt/eff command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_nh_eff.html#fix-nph-eff-command" > fix nph/eff command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_nph_asphere.html" > fix nph/asphere command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_nph_asphere.html#fix-nph-asphere-omp-command" > fix nph/asphere/omp command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_nph_body.html" > fix nph/body command< / a > < / li >
< 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_nph_sphere.html#fix-nph-sphere-omp-command" > fix nph/sphere/omp 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_nphug.html#fix-nphug-omp-command" > fix nphug/omp 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_asphere.html#fix-npt-asphere-omp-command" > fix npt/asphere/omp 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_sphere.html" > fix npt/sphere command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_npt_sphere.html#fix-npt-sphere-omp-command" > fix npt/sphere/omp 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.html#fix-nve-intel-command" > fix nve/intel command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_nve.html#fix-nve-kk-command" > fix nve/kk command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_nve.html#fix-nve-omp-command" > fix nve/omp 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.html#fix-nve-asphere-intel-command" > fix nve/asphere/intel 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_body.html" > fix nve/body 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_sphere.html#fix-nve-sphere-omp-command" > fix nve/sphere/omp 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_nvt_asphere.html" > fix nvt/asphere command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_nvt_asphere.html#fix-nvt-asphere-omp-command" > fix nvt/asphere/omp 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.html#fix-nvt-sllod-intel-command" > fix nvt/sllod/intel command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_nvt_sllod.html#fix-nvt-sllod-omp-command" > fix nvt/sllod/omp 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_nvt_sphere.html#fix-nvt-sphere-omp-command" > fix nvt/sphere/omp 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_phonon.html" > fix phonon command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_pimd.html" > fix pimd 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_poems.html" > fix poems< / 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_press_berendsen.html" > fix press/berendsen 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_property_atom.html" > fix property/atom 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-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_comb.html#fix-qeq-comb-omp-command" > fix qeq/comb/omp command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_qeq_reax.html" > fix qeq/reax command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_qeq_reax.html#fix-qeq-reax-kk-command" > fix qeq/reax/kk 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_reax_bonds.html" > fix reax/bonds command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_reax_bonds.html#fix-reax-c-bonds-command" > fix reax/c/bonds command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_reaxc_species.html" > fix reax/c/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_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_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-kk-command" > fix setforce/kk 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_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_thermal_conductivity.html" > fix thermal/conductivity command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_ti_rs.html" > fix ti/rs 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-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_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_gran.html" > fix wall/gran 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.html#fix-wall-reflect-kk-command" > fix wall/reflect/kk 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 >
< / ul >
< / li >
< li class = "toctree-l1" > < a class = "reference internal" href = "computes.html" > Computes< / 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" > Bonds< / 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 >
< / ul >
2016-05-10 01:33:12 +08:00
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< li > < a href = "Manual.html" > Docs< / a > » < / li >
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< li > < a href = "fixes.html" > Fixes< / a > » < / li >
2016-05-10 01:33:12 +08:00
< li > fix ave/time command< / li >
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< a href = "http://lammps.sandia.gov" > Website< / 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" > < / span > < / a >
< a href = "fix_ave_histo.html" class = "btn btn-neutral" title = "fix ave/histo command" accesskey = "p" > < span class = "fa fa-arrow-circle-left" > < / span > Previous< / a >
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< div class = "section" id = "fix-ave-time-command" >
< span id = "index-0" > < / span > < h1 > fix ave/time command< / h1 >
< div class = "section" id = "syntax" >
< h2 > Syntax< / h2 >
< div class = "highlight-default" > < div class = "highlight" > < pre > < span > < / span > < span class = "n" > fix< / span > < span class = "n" > ID< / span > < span class = "n" > group< / span > < span class = "o" > -< / span > < span class = "n" > ID< / span > < span class = "n" > ave< / span > < span class = "o" > /< / span > < span class = "n" > time< / span > < span class = "n" > Nevery< / span > < span class = "n" > Nrepeat< / span > < span class = "n" > Nfreq< / span > < span class = "n" > value1< / span > < span class = "n" > value2< / span > < span class = "o" > ...< / span > < span class = "n" > keyword< / span > < span class = "n" > args< / span > < span class = "o" > ...< / span >
< / pre > < / div >
< / div >
2016-09-14 08:22:17 +08:00
< ul >
< li > < p class = "first" > ID, group-ID are documented in < a class = "reference internal" href = "fix.html" > < span class = "doc" > fix< / span > < / a > command< / p >
< / li >
< li > < p class = "first" > ave/time = style name of this fix command< / p >
< / li >
< li > < p class = "first" > Nevery = use input values every this many timesteps< / p >
< / li >
< li > < p class = "first" > Nrepeat = # of times to use input values for calculating averages< / p >
< / li >
< li > < p class = "first" > Nfreq = calculate averages every this many timesteps< / p >
< / li >
< li > < p class = "first" > one or more input values can be listed< / p >
< / li >
< li > < p class = "first" > value = c_ID, c_ID[N], f_ID, f_ID[N], v_name< / p >
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< pre class = "literal-block" >
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
< / pre >
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< / li >
< li > < p class = "first" > zero or more keyword/arg pairs may be appended< / p >
< / li >
< li > < p class = "first" > keyword = < em > mode< / em > or < em > file< / em > or < em > ave< / em > or < em > start< / em > or < em > off< / em > or < em > overwrite< / em > or < em > title1< / em > or < em > title2< / em > or < em > title3< / em > < / p >
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< 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 cummulative 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 timestep
< 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 > 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 >
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< / li >
< / ul >
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< / div >
< div class = "section" id = "examples" >
< h2 > Examples< / h2 >
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< pre class = "literal-block" >
fix 1 all ave/time 100 5 1000 c_myTemp c_thermo_temp file temp.profile
fix 1 all ave/time 100 5 1000 c_thermo_press[2] ave window 20 &
title1 " My output values"
fix 1 all ave/time 100 5 1000 c_thermo_press[*]
fix 1 all ave/time 1 100 1000 f_indent f_indent[1] file temp.indent off 1
< / pre >
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< / div >
< div class = "section" id = "description" >
< h2 > Description< / h2 >
< p > Use one or more global values as inputs every few timesteps, and
average them over longer timescales. The resulting averages can be
used by other < a class = "reference internal" href = "Section_howto.html#howto-15" > < span class = "std std-ref" > 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
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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 > ,
2016-05-10 01:33:12 +08:00
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 >
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< 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 Ith 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 >
< p > Note that for values from a compute or fix, the bracketed index I can
be specified using a wildcard asterisk with the index to effectively
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specify multiple values. This takes the form “ *” or “ *n” or “ n*” or
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“ m*n” . If N = 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 N. A leading
asterisk means all indices from 1 to n (inclusive). A trailing
asterisk means all indices from n to N (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. E.g. these
2 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 3 columns, each of length 50:< / p >
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< pre class = "literal-block" >
compute myRDF all rdf 50 1 2
fix 1 all ave/time 100 1 100 c_myRDF[*] file tmp1.rdf mode vector
fix 2 all ave/time 100 1 100 c_myRDF[1] c_myRDF[2] c_myRDF[3] file tmp2.rdf mode vector
< / pre >
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< hr class = "docutils" / >
< p > The < em > Nevery< / em > , < em > Nrepeat< / em > , and < em > Nfreq< / em > arguments specify on what
timesteps the input values will be used in order to contribute to the
average. The final averaged quantities are generated on timesteps
that are a mlutiple of < em > Nfreq< / em > . The average is over < em > Nrepeat< / em >
quantities, computed in the preceding portion of the simulation every
< em > Nevery< / em > timesteps. < em > Nfreq< / em > must be a multiple of < em > Nevery< / em > and
< em > Nevery< / em > must be non-zero even if < em > Nrepeat< / em > is 1. Also, the timesteps
contributing to the average value cannot overlap,
i.e. Nrepeat*Nevery can not exceed Nfreq.< / p >
< p > For example, if Nevery=2, Nrepeat=6, and Nfreq=100, then values on
timesteps 90,92,94,96,98,100 will be used to compute the final average
on timestep 100. Similarly for timesteps 190,192,194,196,198,200 on
timestep 200, etc. If Nrepeat=1 and Nfreq = 100, then no time
averaging is done; values are simply generated on timesteps
100,200,etc.< / p >
< hr class = "docutils" / >
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< p > If a value begins with “ c_” , a compute ID must follow which has been
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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
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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 >
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< p > Note that there is a < a class = "reference internal" href = "compute_reduce.html" > < span class = "doc" > compute reduce< / span > < / a > command
which can sum per-atom quantities into a global scalar or vector which
can thus be accessed by fix ave/time. Or it can 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 = "Section_modify.html" > < span class = "doc" > add them to LAMMPS< / span > < / a > .< / p >
2016-09-07 22:09:53 +08:00
< p > If a value begins with “ f_” , a fix ID must follow which has been
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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
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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 >
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< p > Note that some fixes only produce their values on certain timesteps,
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 = "Section_modify.html" > < span class = "doc" > add them to LAMMPS< / span > < / a > .< / p >
2016-09-07 22:09:53 +08:00
< p > If a value begins with “ v_” , a variable name must follow which has
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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 < em > Nfreq< / em >
steps are averaged with values produced on previous steps that were
multiples of < em > Nfreq< / em > , 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 timesteps
that are multiples of < em > Nfreq< / em > 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
timesteps that are multiples of < em > Nfreq< / em > are summed and averaged in a
cummulative sense before being output. Each output value is thus the
average of the value produced on that timestep 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
timesteps 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. E.g. if M = 3 and Nfreq = 1000, then the output
on step 10000 will be the average of the individual values on steps
8000,9000,10000. Outputs on early steps will average over less than M
values if they are not available.< / p >
< p > The < em > start< / em > keyword specifies what timestep 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 >
< p > The < em > file< / em > keyword allows a filename to be specified. 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 >
< p > The < em > overwrite< / em > keyword will continuously overwrite the output file
with the latest output, so that it only contains one timestep 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-default" > < div class = "highlight" > < pre > < span > < / span > < span class = "c1" > # Time-averaged data for fix ID< / span >
< span class = "c1" > # TimeStep value1 value2 ...< / span >
< / 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-default" > < div class = "highlight" > < pre > < span > < / span > < span class = "c1" > # Time-averaged data for fix ID< / span >
< span class = "c1" > # TimeStep Number-of-rows< / span >
< span class = "c1" > # Row value1 value2 ...< / span >
< / 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 >
< hr class = "docutils" / >
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< p > < strong > Restart, fix_modify, output, run start/stop, minimize info:< / strong > < / p >
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< p > No information about this fix is written to < a class = "reference internal" href = "restart.html" > < span class = "doc" > binary restart files< / span > < / a > . None of the < a class = "reference internal" href = "fix_modify.html" > < span class = "doc" > fix_modify< / span > < / a > options
are relevant to this fix.< / 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 = "Section_howto.html#howto-15" > < span class = "std std-ref" > output commands< / span > < / a > . The values can only be
accessed on timesteps that are multiples of < em > Nfreq< / em > 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 prouduces 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 doc 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 >
< / div >
< div class = "section" id = "restrictions" >
< h2 > Restrictions< / h2 >
< blockquote >
< div > none< / div > < / blockquote >
< / div >
< div class = "section" id = "related-commands" >
< h2 > Related commands< / h2 >
2016-05-31 22:55:17 +08:00
< 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 > ,
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< 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 >
< / div >
< div class = "section" id = "default" >
< h2 > Default< / 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 >
< / div >
< / div >
< / div >
< / div >
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< a href = "fix_ave_histo.html" class = "btn btn-neutral" title = "fix ave/histo command" accesskey = "p" > < span class = "fa fa-arrow-circle-left" > < / span > Previous< / a >
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