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 >
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< li class = "toctree-l1" > < a class = "reference internal" href = "Section_accelerate.html" > 5. Accelerating LAMMPS performance< / a > < / li >
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< 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 >
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< li class = "toctree-l2" > < a class = "reference internal" href = "angle_coeff.html" > angle_coeff command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "angle_style.html" > angle_style command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "atom_modify.html" > atom_modify command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "atom_style.html" > atom_style command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "balance.html" > balance command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "bond_coeff.html" > bond_coeff command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "bond_style.html" > bond_style command< / a > < / li >
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< li class = "toctree-l2" > < a class = "reference internal" href = "box.html" > box command< / a > < / li >
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< li class = "toctree-l2" > < a class = "reference internal" href = "clear.html" > clear command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "comm_modify.html" > comm_modify command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "comm_style.html" > comm_style command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "compute.html" > compute command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "compute_modify.html" > compute_modify command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "create_atoms.html" > create_atoms command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "create_bonds.html" > create_bonds command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "create_box.html" > create_box command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "delete_atoms.html" > delete_atoms command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "delete_bonds.html" > delete_bonds command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "dielectric.html" > dielectric command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "dihedral_coeff.html" > dihedral_coeff command< / a > < / li >
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< li class = "toctree-l2" > < a class = "reference internal" href = "dump_h5md.html" > dump h5md command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "dump_image.html" > dump image command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "dump_image.html#dump-movie-command" > dump movie command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "dump_modify.html" > dump_modify command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "dump_molfile.html" > dump molfile command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "echo.html" > echo command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix.html" > fix command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "fix_modify.html" > fix_modify command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "group.html" > group command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "group2ndx.html" > group2ndx command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "group2ndx.html#ndx2group-command" > ndx2group command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "if.html" > if command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "improper_coeff.html" > improper_coeff command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "improper_style.html" > improper_style command< / a > < / li >
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< li class = "toctree-l2" > < a class = "reference internal" href = "jump.html" > jump command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "kspace_modify.html" > kspace_modify command< / a > < / li >
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< li class = "toctree-l2" > < a class = "reference internal" href = "lattice.html" > lattice command< / a > < / li >
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< li class = "toctree-l2" > < a class = "reference internal" href = "mass.html" > mass command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "min_modify.html" > min_modify command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "min_style.html" > min_style command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "minimize.html" > minimize command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "molecule.html" > molecule command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "neb.html" > neb command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "neigh_modify.html" > neigh_modify command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "neighbor.html" > neighbor command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "newton.html" > newton command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "next.html" > next command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "package.html" > package command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "pair_coeff.html" > pair_coeff command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "pair_modify.html" > pair_modify command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "pair_style.html" > pair_style command< / a > < / li >
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< li class = "toctree-l2" > < a class = "reference internal" href = "partition.html" > partition command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "prd.html" > prd command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "print.html" > print command< / a > < / li >
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< li class = "toctree-l2" > < a class = "reference internal" href = "python.html" > python command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "quit.html" > quit command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "read_data.html" > read_data command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "read_dump.html" > read_dump command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "read_restart.html" > read_restart command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "region.html" > region command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "replicate.html" > replicate command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "rerun.html" > rerun command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "reset_timestep.html" > reset_timestep command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "restart.html" > restart command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "run.html" > run command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "run_style.html" > run_style command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "set.html" > set command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "shell.html" > shell command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "special_bonds.html" > special_bonds command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "suffix.html" > suffix command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "tad.html" > tad command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "temper.html" > temper command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "thermo.html" > thermo command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "thermo_modify.html" > thermo_modify command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "thermo_style.html" > thermo_style command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "timer.html" > timer command< / a > < / li >
< li class = "toctree-l2 current" > < a class = "current reference internal" href = "#" > timestep 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 >
< li class = "toctree-l2" > < a class = "reference internal" href = "uncompute.html" > uncompute command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "undump.html" > undump command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "unfix.html" > unfix command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "units.html" > units command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "variable.html" > variable command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "velocity.html" > velocity command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "write_coeff.html" > write_coeff command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "write_data.html" > write_data command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "write_dump.html" > write_dump command< / a > < / li >
< li class = "toctree-l2" > < a class = "reference internal" href = "write_restart.html" > write_restart command< / a > < / li >
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< li class = "toctree-l1" > < a class = "reference internal" href = "fixes.html" > Fixes< / a > < / 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 >
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< div class = "section" id = "timestep-command" >
< span id = "index-0" > < / span > < h1 > timestep command< / h1 >
< div class = "section" id = "syntax" >
< h2 > Syntax< / h2 >
< div class = "highlight-default" > < div class = "highlight" > < pre > < span > < / span > < span class = "n" > timestep< / span > < span class = "n" > dt< / span >
< / pre > < / div >
< / div >
< ul class = "simple" >
< li > dt = timestep size (time units)< / li >
< / ul >
< / div >
< div class = "section" id = "examples" >
< h2 > Examples< / h2 >
< div class = "highlight-default" > < div class = "highlight" > < pre > < span > < / span > < span class = "n" > timestep< / span > < span class = "mf" > 2.0< / span >
< span class = "n" > timestep< / span > < span class = "mf" > 0.003< / span >
< / pre > < / div >
< / div >
< / div >
< div class = "section" id = "description" >
< h2 > Description< / h2 >
< p > Set the timestep size for subsequent molecular dynamics simulations.
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See the < a class = "reference internal" href = "units.html" > < span class = "doc" > units< / span > < / a > command for the time units associated with
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each choice of units that LAMMPS supports.< / p >
< p > The default value for the timestep size also depends on the choice of
units for the simulation; see the default values below.< / p >
< p > When the < a class = "reference internal" href = "run_style.html" > < span class = "doc" > run style< / span > < / a > is < em > respa< / em > , dt is the timestep for
the outer loop (largest) timestep.< / 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 >
< p > < a class = "reference internal" href = "fix_dt_reset.html" > < span class = "doc" > fix dt/reset< / span > < / a > , < a class = "reference internal" href = "run.html" > < span class = "doc" > run< / span > < / a > ,
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< a class = "reference internal" href = "run_style.html" > < span class = "doc" > run_style< / span > < / a > respa, < a class = "reference internal" href = "units.html" > < span class = "doc" > units< / span > < / a > < / p >
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< / div >
< div class = "section" id = "default" >
< h2 > Default< / h2 >
< table border = "1" class = "docutils" >
< colgroup >
< col width = "48%" / >
< col width = "18%" / >
< col width = "34%" / >
< / colgroup >
< tbody valign = "top" >
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< tr class = "row-odd" > < td > choice of < a class = "reference internal" href = "units.html" > < span class = "doc" > units< / span > < / a > < / td >
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< td > time units< / td >
< td > default timestep size< / td >
< / tr >
< tr class = "row-even" > < td > lj< / td >
< td > tau< / td >
< td > 0.005 tau< / td >
< / tr >
< tr class = "row-odd" > < td > real< / td >
< td > fmsec< / td >
< td > 1.0 fmsec< / td >
< / tr >
< tr class = "row-even" > < td > metal< / td >
< td > psec< / td >
< td > 0.001 psec< / td >
< / tr >
< tr class = "row-odd" > < td > si< / td >
< td > sec< / td >
< td > 1.0e-8 sec (10 nsec)< / td >
< / tr >
< tr class = "row-even" > < td > cgs< / td >
< td > sec< / td >
< td > 1.0e-8 sec (10 nsec)< / td >
< / tr >
< tr class = "row-odd" > < td > electron< / td >
< td > fmsec< / td >
< td > 0.001 fmsec< / td >
< / tr >
< tr class = "row-even" > < td > micro< / td >
< td > usec< / td >
< td > 2.0 usec< / td >
< / tr >
< tr class = "row-odd" > < td > nano< / td >
< td > nsec< / td >
< td > 0.00045 nsec< / td >
< / tr >
< / tbody >
< / table >
< / div >
< / div >
< / div >
< / div >
< footer >
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< div class = "rst-footer-buttons" role = "navigation" aria-label = "footer navigation" >
< a href = "uncompute.html" class = "btn btn-neutral float-right" title = "uncompute command" accesskey = "n" > Next < span class = "fa fa-arrow-circle-right" > < / span > < / a >
< a href = "timer.html" class = "btn btn-neutral" title = "timer command" accesskey = "p" > < span class = "fa fa-arrow-circle-left" > < / span > Previous< / a >
< / div >
2016-05-10 01:33:12 +08:00
< hr / >
< div role = "contentinfo" >
< p >
© Copyright 2013 Sandia Corporation.
< / p >
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Built with < a href = "http://sphinx-doc.org/" > Sphinx< / a > using a < a href = "https://github.com/snide/sphinx_rtd_theme" > theme< / a > provided by < a href = "https://readthedocs.org" > Read the Docs< / a > .
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