170 lines
4.3 KiB
ReStructuredText
170 lines
4.3 KiB
ReStructuredText
Commands by category
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====================
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This page lists most of the LAMMPS commands, grouped by category. The
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:doc:`General commands <Commands_all>` doc page lists all general commands
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alphabetically. Style options for entries like fix, compute, pair etc.
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have their own pages where they are listed alphabetically.
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Initialization:
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------------------------------
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.. table_from_list::
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:columns: 5
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* :doc:`newton <newton>`
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* :doc:`package <package>`
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* :doc:`processors <processors>`
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* :doc:`suffix <suffix>`
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* :doc:`units <units>`
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Setup simulation box:
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------------------------------
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.. table_from_list::
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:columns: 4
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* :doc:`boundary <boundary>`
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* :doc:`box <box>`
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* :doc:`change_box <change_box>`
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* :doc:`create_box <create_box>`
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* :doc:`dimension <dimension>`
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* :doc:`lattice <lattice>`
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* :doc:`region <region>`
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Setup atoms:
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------------------------------
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.. table_from_list::
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:columns: 4
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* :doc:`atom_modify <atom_modify>`
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* :doc:`atom_style <atom_style>`
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* :doc:`balance <balance>`
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* :doc:`create_atoms <create_atoms>`
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* :doc:`create_bonds <create_bonds>`
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* :doc:`delete_atoms <delete_atoms>`
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* :doc:`delete_bonds <delete_bonds>`
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* :doc:`displace_atoms <displace_atoms>`
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* :doc:`group <group>`
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* :doc:`mass <mass>`
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* :doc:`molecule <molecule>`
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* :doc:`read_data <read_data>`
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* :doc:`read_dump <read_dump>`
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* :doc:`read_restart <read_restart>`
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* :doc:`replicate <replicate>`
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* :doc:`set <set>`
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* :doc:`velocity <velocity>`
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Force fields:
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------------------------------
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.. table_from_list::
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:columns: 4
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* :doc:`angle_coeff <angle_coeff>`
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* :doc:`angle_style <angle_style>`
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* :doc:`bond_coeff <bond_coeff>`
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* :doc:`bond_style <bond_style>`
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* :doc:`bond_write <bond_write>`
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* :doc:`dielectric <dielectric>`
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* :doc:`dihedral_coeff <dihedral_coeff>`
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* :doc:`dihedral_style <dihedral_style>`
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* :doc:`improper_coeff <improper_coeff>`
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* :doc:`improper_style <improper_style>`
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* :doc:`kspace_modify <kspace_modify>`
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* :doc:`kspace_style <kspace_style>`
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* :doc:`pair_coeff <pair_coeff>`
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* :doc:`pair_modify <pair_modify>`
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* :doc:`pair_style <pair_style>`
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* :doc:`pair_write <pair_write>`
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* :doc:`special_bonds <special_bonds>`
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Settings:
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------------------------------
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.. table_from_list::
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:columns: 4
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* :doc:`comm_modify <comm_modify>`
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* :doc:`comm_style <comm_style>`
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* :doc:`info <info>`
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* :doc:`min_modify <min_modify>`
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* :doc:`min_style <min_style>`
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* :doc:`neigh_modify <neigh_modify>`
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* :doc:`neighbor <neighbor>`
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* :doc:`partition <partition>`
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* :doc:`reset_timestep <reset_timestep>`
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* :doc:`run_style <run_style>`
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* :doc:`timer <timer>`
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* :doc:`timestep <timestep>`
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Operations within timestepping (fixes) and diagnostics (computes):
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------------------------------------------------------------------------------------------
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.. table_from_list::
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:columns: 4
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* :doc:`compute <compute>`
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* :doc:`compute_modify <compute_modify>`
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* :doc:`fix <fix>`
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* :doc:`fix_modify <fix_modify>`
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* :doc:`uncompute <uncompute>`
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* :doc:`unfix <unfix>`
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Output:
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------------------------------
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.. table_from_list::
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:columns: 4
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* :doc:`dump image <dump_image>`
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* :doc:`dump movie <dump_image>`
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* :doc:`dump <dump>`
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* :doc:`dump_modify <dump_modify>`
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* :doc:`restart <restart>`
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* :doc:`thermo <thermo>`
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* :doc:`thermo_modify <thermo_modify>`
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* :doc:`thermo_style <thermo_style>`
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* :doc:`undump <undump>`
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* :doc:`write_coeff <write_coeff>`
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* :doc:`write_data <write_data>`
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* :doc:`write_dump <write_dump>`
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* :doc:`write_restart <write_restart>`
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Actions:
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------------------------------
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.. table_from_list::
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:columns: 6
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* :doc:`minimize <minimize>`
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* :doc:`neb <neb>`
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* :doc:`neb_spin <neb_spin>`
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* :doc:`prd <prd>`
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* :doc:`rerun <rerun>`
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* :doc:`run <run>`
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* :doc:`tad <tad>`
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* :doc:`temper <temper>`
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Input script control:
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------------------------------
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.. table_from_list::
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:columns: 7
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* :doc:`clear <clear>`
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* :doc:`echo <echo>`
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* :doc:`if <if>`
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* :doc:`include <include>`
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* :doc:`info <info>`
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* :doc:`jump <jump>`
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* :doc:`label <label>`
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* :doc:`log <log>`
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* :doc:`next <next>`
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* :doc:`print <print>`
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* :doc:`python <python>`
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* :doc:`quit <quit>`
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* :doc:`shell <shell>`
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* :doc:`variable <variable>`
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