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" > < a class = "reference internal" href = "fix_ave_time.html" > fix ave/time command< / a > < / li >
< 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 current" > < a class = "current reference internal" href = "#" > fix nve/sphere command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "#fix-nve-sphere-omp-command" > fix nve/sphere/omp 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 >
< / ul >
< / 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 = "fixes.html" > Fixes< / a > » < / li >
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< li > fix nve/sphere command< / li >
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< a href = "fix_nve_tri.html" class = "btn btn-neutral float-right" title = "fix nve/tri command" accesskey = "n" > Next < span class = "fa fa-arrow-circle-right" > < / span > < / a >
< a href = "fix_nve_noforce.html" class = "btn btn-neutral" title = "fix nve/noforce command" accesskey = "p" > < span class = "fa fa-arrow-circle-left" > < / span > Previous< / a >
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< div class = "section" id = "fix-nve-sphere-command" >
< span id = "index-0" > < / span > < h1 > fix nve/sphere command< / h1 >
< / div >
< div class = "section" id = "fix-nve-sphere-omp-command" >
< h1 > fix nve/sphere/omp 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" > nve< / span > < span class = "o" > /< / span > < span class = "n" > sphere< / span >
< / pre > < / div >
< / div >
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< 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" > nve/sphere = style name of this fix command< / p >
< / li >
< li > < p class = "first" > zero or more keyword/value pairs may be appended< / p >
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< pre class = "literal-block" >
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keyword = < em > update< / em >
< em > update< / em > value = < em > dipole< / em > or < em > dipole/dlm< / em >
dipole = update orientation of dipole moment during integration
dipole/dlm = use DLM integrator to update dipole orientation
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< / pre >
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< / li >
< / ul >
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< / div >
< div class = "section" id = "examples" >
< h2 > Examples< / h2 >
< div class = "highlight-default" > < div class = "highlight" > < pre > < span > < / span > < span class = "n" > fix< / span > < span class = "mi" > 1< / span > < span class = "nb" > all< / span > < span class = "n" > nve< / span > < span class = "o" > /< / span > < span class = "n" > sphere< / span >
< span class = "n" > fix< / span > < span class = "mi" > 1< / span > < span class = "nb" > all< / span > < span class = "n" > nve< / span > < span class = "o" > /< / span > < span class = "n" > sphere< / span > < span class = "n" > update< / span > < span class = "n" > dipole< / span >
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< span class = "n" > fix< / span > < span class = "mi" > 1< / span > < span class = "nb" > all< / span > < span class = "n" > nve< / span > < span class = "o" > /< / span > < span class = "n" > sphere< / span > < span class = "n" > update< / span > < span class = "n" > dipole< / span > < span class = "o" > /< / span > < span class = "n" > dlm< / span >
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< / pre > < / div >
< / div >
< / div >
< div class = "section" id = "description" >
< h2 > Description< / h2 >
< p > Perform constant NVE integration to update position, velocity, and
angular velocity for finite-size spherical particles in the group each
timestep. V is volume; E is energy. This creates a system trajectory
consistent with the microcanonical ensemble.< / p >
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< p > This fix differs from the < a class = "reference internal" href = "fix_nve.html" > < span class = "doc" > fix nve< / span > < / a > command, which
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assumes point particles and only updates their position and velocity.< / p >
< p > If the < em > update< / em > keyword is used with the < em > dipole< / em > value, then the
orientation of the dipole moment of each particle is also updated
during the time integration. This option should be used for models
where a dipole moment is assigned to finite-size particles,
e.g. spheroids via use of the < a class = "reference internal" href = "atom_style.html" > < span class = "doc" > atom_style hybrid sphere dipole< / span > < / a > command.< / p >
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< p > The default dipole orientation integrator can be changed to the
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Dullweber-Leimkuhler-McLachlan integration scheme
< a class = "reference internal" href = "fix_nh.html#nh-dullweber" > < span class = "std std-ref" > (Dullweber)< / span > < / a > when using < em > update< / em > with the value
< em > dipole/dlm< / em > . This integrator is symplectic and time-reversible,
giving better energy conservation and allows slightly longer timesteps
at only a small additional computational cost.< / p >
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< hr class = "docutils" / >
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< p > Styles with a < em > gpu< / em > , < em > intel< / em > , < em > kk< / em > , < em > omp< / em > , or < em > opt< / em > suffix are
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functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
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hardware, as discussed in < a class = "reference internal" href = "Section_accelerate.html" > < span class = "doc" > Section 5< / span > < / a >
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of the manual. The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.< / p >
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< p > These accelerated styles are part of the GPU, USER-INTEL, KOKKOS,
USER-OMP and OPT packages, respectively. They are only enabled if
LAMMPS was built with those packages. See the < a class = "reference internal" href = "Section_start.html#start-3" > < span class = "std std-ref" > Making LAMMPS< / span > < / a > section for more info.< / p >
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< p > You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the < a class = "reference internal" href = "Section_start.html#start-7" > < span class = "std std-ref" > -suffix command-line switch< / span > < / a > when you invoke LAMMPS, or you can
use the < a class = "reference internal" href = "suffix.html" > < span class = "doc" > suffix< / span > < / a > command in your input script.< / p >
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< p > See < a class = "reference internal" href = "Section_accelerate.html" > < span class = "doc" > Section 5< / span > < / a > of the manual for
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more instructions on how to use the accelerated styles effectively.< / 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. No global or per-atom quantities are stored
by this fix for access by various < a class = "reference internal" href = "Section_howto.html#howto-15" > < span class = "std std-ref" > output commands< / span > < / a > . 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 >
< p > This fix requires that atoms store torque and angular velocity (omega)
and a radius as defined by the < a class = "reference internal" href = "atom_style.html" > < span class = "doc" > atom_style sphere< / span > < / a >
command. If the < em > dipole< / em > keyword is used, then they must also store a
dipole moment as defined by the < a class = "reference internal" href = "atom_style.html" > < span class = "doc" > atom_style dipole< / span > < / a >
command.< / p >
< p > All particles in the group must be finite-size spheres. They cannot
be point particles.< / p >
< / div >
< div class = "section" id = "related-commands" >
< h2 > Related commands< / h2 >
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< p > < a class = "reference internal" href = "fix_nve.html" > < span class = "doc" > fix nve< / span > < / a > , < a class = "reference internal" href = "fix_nve_asphere.html" > < span class = "doc" > fix nve/asphere< / span > < / a > < / p >
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< p > < strong > Default:< / strong > none< / p >
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< hr class = "docutils" / >
< p id = "nve-dullweber" > < strong > (Dullweber)< / strong > Dullweber, Leimkuhler and McLachlan, J Chem Phys, 107,
5840 (1997).< / p >
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