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@ -282,78 +282,135 @@ the "minimize"_minimize.html command. A parallel tempering
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3.4 Commands listed by category :link(cmd_4),h4
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This section lists all LAMMPS commands, grouped by category. The
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"next section"_#cmd_5 lists the same commands alphabetically. Note
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that some style options for some commands are part of specific LAMMPS
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packages, which means they cannot be used unless the package was
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included when LAMMPS was built. Not all packages are included in a
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default LAMMPS build. These dependencies are listed as Restrictions
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in the command's documentation.
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"next section"_#cmd_5 lists the same commands alphabetically. The
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next section also includes (long) lists of style options for entries
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that appear in the following categories as a single command (fix,
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compute, pair, etc). Commands that are added by user packages are not
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included in these categories, but they are in the next section.
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Initialization:
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"atom_modify"_atom_modify.html, "atom_style"_atom_style.html,
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"boundary"_boundary.html, "dimension"_dimension.html,
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"newton"_newton.html, "processors"_processors.html, "units"_units.html
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"newton"_newton.html,
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"package"_package.html,
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"processors"_processors.html,
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"suffix"_suffix.html,
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"units"_units.html
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Atom definition:
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Setup simulation box:
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"create_atoms"_create_atoms.html, "create_box"_create_box.html,
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"lattice"_lattice.html, "read_data"_read_data.html,
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"read_dump"_read_dump.html, "read_restart"_read_restart.html,
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"region"_region.html, "replicate"_replicate.html
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"boundary"_boundary.html,
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"box"_box.html,
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"change_box"_change_box.html,
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"create_box"_create_box.html,
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"dimension"_dimension.html,
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"lattice"_lattice.html,
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"region"_region.html
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Setup atoms:
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"atom_modify"_atom_modify.html,
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"atom_style"_atom_style.html,
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"balance"_balance.html,
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"create_atoms"_create_atoms.html,
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"create_bonds"_create_bonds.html,
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"delete_atoms"_delete_atoms.html,
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"delete_bonds"_delete_bonds.html,
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"displace_atoms"_displace_atoms.html,
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"group"_group.html,
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"mass"_mass.html,
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"molecule"_molecule.html,
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"read_data"_read_data.html,
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"read_dump"_read_dump.html,
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"read_restart"_read_restart.html,
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"replicate"_replicate.html,
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"set"_set.html,
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"velocity"_velocity.html
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Force fields:
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"angle_coeff"_angle_coeff.html, "angle_style"_angle_style.html,
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"bond_coeff"_bond_coeff.html, "bond_style"_bond_style.html,
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"dielectric"_dielectric.html, "dihedral_coeff"_dihedral_coeff.html,
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"angle_coeff"_angle_coeff.html,
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"angle_style"_angle_style.html,
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"bond_coeff"_bond_coeff.html,
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"bond_style"_bond_style.html,
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"bond_write"_bond_write.html,
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"dielectric"_dielectric.html,
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"dihedral_coeff"_dihedral_coeff.html,
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"dihedral_style"_dihedral_style.html,
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"improper_coeff"_improper_coeff.html,
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"improper_style"_improper_style.html,
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"kspace_modify"_kspace_modify.html, "kspace_style"_kspace_style.html,
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"pair_coeff"_pair_coeff.html, "pair_modify"_pair_modify.html,
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"pair_style"_pair_style.html, "pair_write"_pair_write.html,
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"kspace_modify"_kspace_modify.html,
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"kspace_style"_kspace_style.html,
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"pair_coeff"_pair_coeff.html,
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"pair_modify"_pair_modify.html,
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"pair_style"_pair_style.html,
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"pair_write"_pair_write.html,
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"special_bonds"_special_bonds.html
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Settings:
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"comm_style"_comm_style.html, "group"_group.html, "mass"_mass.html,
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"min_modify"_min_modify.html, "min_style"_min_style.html,
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"neigh_modify"_neigh_modify.html, "neighbor"_neighbor.html,
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"reset_timestep"_reset_timestep.html, "run_style"_run_style.html,
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"set"_set.html, "timestep"_timestep.html, "velocity"_velocity.html
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"comm_modify"_comm_modify.html,
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"comm_style"_comm_style.html,
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"info"_info.html,
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"min_modify"_min_modify.html,
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"min_style"_min_style.html,
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"neigh_modify"_neigh_modify.html,
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"neighbor"_neighbor.html,
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"partition"_partition.html,
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"reset_timestep"_reset_timestep.html,
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"run_style"_run_style.html,
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"timer"_timer.html,
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"timestep"_timestep.html
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Fixes:
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Operations within timestepping (fixes) and diagnositics (computes):
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"fix"_fix.html, "fix_modify"_fix_modify.html, "unfix"_unfix.html
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Computes:
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"compute"_compute.html, "compute_modify"_compute_modify.html,
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"uncompute"_uncompute.html
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"compute"_compute.html,
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"compute_modify"_compute_modify.html,
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"fix"_fix.html,
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"fix_modify"_fix_modify.html,
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"uncompute"_uncompute.html,
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"unfix"_unfix.html
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Output:
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"dump"_dump.html, "dump image"_dump_image.html,
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"dump_modify"_dump_modify.html, "dump movie"_dump_image.html,
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"restart"_restart.html, "thermo"_thermo.html,
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"thermo_modify"_thermo_modify.html, "thermo_style"_thermo_style.html,
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"undump"_undump.html, "write_data"_write_data.html,
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"write_dump"_write_dump.html, "write_restart"_write_restart.html
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"dump image"_dump_image.html,
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"dump movie"_dump_image.html,
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"dump"_dump.html,
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"dump_modify"_dump_modify.html,
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"restart"_restart.html,
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"thermo"_thermo.html,
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"thermo_modify"_thermo_modify.html,
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"thermo_style"_thermo_style.html,
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"undump"_undump.html,
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"write_coeff"_write_coeff.html,
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"write_data"_write_data.html,
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"write_dump"_write_dump.html,
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"write_restart"_write_restart.html
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Actions:
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"delete_atoms"_delete_atoms.html, "delete_bonds"_delete_bonds.html,
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"displace_atoms"_displace_atoms.html, "change_box"_change_box.html,
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"minimize"_minimize.html, "neb"_neb.html "prd"_prd.html,
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"rerun"_rerun.html, "run"_run.html, "temper"_temper.html
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"minimize"_minimize.html,
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"neb"_neb.html,
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"prd"_prd.html,
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"rerun"_rerun.html,
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"run"_run.html,
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"tad"_tad.html,
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"temper"_temper.html
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Miscellaneous:
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Input script control:
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"clear"_clear.html, "echo"_echo.html, "if"_if.html,
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"include"_include.html, "jump"_jump.html, "label"_label.html,
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"log"_log.html, "next"_next.html, "print"_print.html,
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"shell"_shell.html, "variable"_variable.html
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"clear"_clear.html,
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"echo"_echo.html,
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"if"_if.html,
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"include"_include.html,
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"jump"_jump.html,
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"label"_label.html,
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"log"_log.html,
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"next"_next.html,
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"print"_print.html,
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"python"_python.html,
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"quit"_quit.html,
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"shell"_shell.html,
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"variable"_variable.html
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:line
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Steve Plimpton