mirror of https://github.com/lammps/lammps.git
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@548 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
sjplimp
parent
604c8b30d6
commit
37ecfb2bae
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@ -276,10 +276,10 @@ in the command's documentation.
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</P>
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<P>Miscellaneous:
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</P>
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<P><A HREF = "clear.html">clear</A>, <A HREF = "echo.html">echo</A>, <A HREF = "include.html">include</A>,
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<A HREF = "jump.html">jump</A>, <A HREF = "label.html">label</A>, <A HREF = "log.html">log</A>,
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<A HREF = "next.html">next</A>, <A HREF = "print.html">print</A>, <A HREF = "shell.html">shell</A>,
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<A HREF = "variable.html">variable</A>
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<P><A HREF = "clear.html">clear</A>, <A HREF = "echo.html">echo</A>, <A HREF = "if.html">if</A>,
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<A HREF = "include.html">include</A>, <A HREF = "jump.html">jump</A>, <A HREF = "label.html">label</A>,
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<A HREF = "log.html">log</A>, <A HREF = "next.html">next</A>, <A HREF = "print.html">print</A>,
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<A HREF = "shell.html">shell</A>, <A HREF = "variable.html">variable</A>
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</P>
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<HR>
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@ -299,15 +299,15 @@ in the command's documentation.
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<TR ALIGN="center"><TD ><A HREF = "boundary.html">boundary</A></TD><TD ><A HREF = "clear.html">clear</A></TD><TD ><A HREF = "communicate.html">communicate</A></TD><TD ><A HREF = "compute.html">compute</A></TD><TD ><A HREF = "compute_modify.html">compute_modify</A></TD><TD ><A HREF = "create_atoms.html">create_atoms</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "create_box.html">create_box</A></TD><TD ><A HREF = "delete_atoms.html">delete_atoms</A></TD><TD ><A HREF = "delete_bonds.html">delete_bonds</A></TD><TD ><A HREF = "dielectric.html">dielectric</A></TD><TD ><A HREF = "dihedral_coeff.html">dihedral_coeff</A></TD><TD ><A HREF = "dihedral_style.html">dihedral_style</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "dimension.html">dimension</A></TD><TD ><A HREF = "dipole.html">dipole</A></TD><TD ><A HREF = "displace_atoms.html">displace_atoms</A></TD><TD ><A HREF = "dump.html">dump</A></TD><TD ><A HREF = "dump_modify.html">dump_modify</A></TD><TD ><A HREF = "echo.html">echo</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "fix.html">fix</A></TD><TD ><A HREF = "fix_modify.html">fix_modify</A></TD><TD ><A HREF = "group.html">group</A></TD><TD ><A HREF = "improper_coeff.html">improper_coeff</A></TD><TD ><A HREF = "improper_style.html">improper_style</A></TD><TD ><A HREF = "include.html">include</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "jump.html">jump</A></TD><TD ><A HREF = "kspace_modify.html">kspace_modify</A></TD><TD ><A HREF = "kspace_style.html">kspace_style</A></TD><TD ><A HREF = "label.html">label</A></TD><TD ><A HREF = "lattice.html">lattice</A></TD><TD ><A HREF = "log.html">log</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "mass.html">mass</A></TD><TD ><A HREF = "minimize.html">minimize</A></TD><TD ><A HREF = "min_modify.html">min_modify</A></TD><TD ><A HREF = "min_style.html">min_style</A></TD><TD ><A HREF = "neigh_modify.html">neigh_modify</A></TD><TD ><A HREF = "neighbor.html">neighbor</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "newton.html">newton</A></TD><TD ><A HREF = "next.html">next</A></TD><TD ><A HREF = "pair_coeff.html">pair_coeff</A></TD><TD ><A HREF = "pair_modify.html">pair_modify</A></TD><TD ><A HREF = "pair_style.html">pair_style</A></TD><TD ><A HREF = "pair_write.html">pair_write</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "print.html">print</A></TD><TD ><A HREF = "processors.html">processors</A></TD><TD ><A HREF = "read_data.html">read_data</A></TD><TD ><A HREF = "read_restart.html">read_restart</A></TD><TD ><A HREF = "region.html">region</A></TD><TD ><A HREF = "replicate.html">replicate</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "reset_timestep.html">reset_timestep</A></TD><TD ><A HREF = "restart.html">restart</A></TD><TD ><A HREF = "run.html">run</A></TD><TD ><A HREF = "run_style.html">run_style</A></TD><TD ><A HREF = "set.html">set</A></TD><TD ><A HREF = "shell.html">shell</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "special_bonds.html">special_bonds</A></TD><TD ><A HREF = "temper.html">temper</A></TD><TD ><A HREF = "thermo.html">thermo</A></TD><TD ><A HREF = "thermo_modify.html">thermo_modify</A></TD><TD ><A HREF = "thermo_style.html">thermo_style</A></TD><TD ><A HREF = "timestep.html">timestep</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "uncompute.html">uncompute</A></TD><TD ><A HREF = "undump.html">undump</A></TD><TD ><A HREF = "unfix.html">unfix</A></TD><TD ><A HREF = "units.html">units</A></TD><TD ><A HREF = "variable.html">variable</A></TD><TD ><A HREF = "velocity.html">velocity</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "write_restart.html">write_restart</A>
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<TR ALIGN="center"><TD ><A HREF = "fix.html">fix</A></TD><TD ><A HREF = "fix_modify.html">fix_modify</A></TD><TD ><A HREF = "group.html">group</A></TD><TD ><A HREF = "if.html">if</A></TD><TD ><A HREF = "improper_coeff.html">improper_coeff</A></TD><TD ><A HREF = "improper_style.html">improper_style</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "include.html">include</A></TD><TD ><A HREF = "jump.html">jump</A></TD><TD ><A HREF = "kspace_modify.html">kspace_modify</A></TD><TD ><A HREF = "kspace_style.html">kspace_style</A></TD><TD ><A HREF = "label.html">label</A></TD><TD ><A HREF = "lattice.html">lattice</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "log.html">log</A></TD><TD ><A HREF = "mass.html">mass</A></TD><TD ><A HREF = "minimize.html">minimize</A></TD><TD ><A HREF = "min_modify.html">min_modify</A></TD><TD ><A HREF = "min_style.html">min_style</A></TD><TD ><A HREF = "neigh_modify.html">neigh_modify</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "neighbor.html">neighbor</A></TD><TD ><A HREF = "newton.html">newton</A></TD><TD ><A HREF = "next.html">next</A></TD><TD ><A HREF = "pair_coeff.html">pair_coeff</A></TD><TD ><A HREF = "pair_modify.html">pair_modify</A></TD><TD ><A HREF = "pair_style.html">pair_style</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_write.html">pair_write</A></TD><TD ><A HREF = "print.html">print</A></TD><TD ><A HREF = "processors.html">processors</A></TD><TD ><A HREF = "read_data.html">read_data</A></TD><TD ><A HREF = "read_restart.html">read_restart</A></TD><TD ><A HREF = "region.html">region</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "replicate.html">replicate</A></TD><TD ><A HREF = "reset_timestep.html">reset_timestep</A></TD><TD ><A HREF = "restart.html">restart</A></TD><TD ><A HREF = "run.html">run</A></TD><TD ><A HREF = "run_style.html">run_style</A></TD><TD ><A HREF = "set.html">set</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "shell.html">shell</A></TD><TD ><A HREF = "special_bonds.html">special_bonds</A></TD><TD ><A HREF = "temper.html">temper</A></TD><TD ><A HREF = "thermo.html">thermo</A></TD><TD ><A HREF = "thermo_modify.html">thermo_modify</A></TD><TD ><A HREF = "thermo_style.html">thermo_style</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "timestep.html">timestep</A></TD><TD ><A HREF = "uncompute.html">uncompute</A></TD><TD ><A HREF = "undump.html">undump</A></TD><TD ><A HREF = "unfix.html">unfix</A></TD><TD ><A HREF = "units.html">units</A></TD><TD ><A HREF = "variable.html">variable</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "velocity.html">velocity</A></TD><TD ><A HREF = "write_restart.html">write_restart</A>
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</TD></TR></TABLE></DIV>
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<HR>
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@ -318,12 +318,12 @@ description:
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</P>
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<DIV ALIGN=center><TABLE WIDTH="0%" BORDER=1 >
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<TR ALIGN="center"><TD ><A HREF = "fix_addforce.html">addforce</A></TD><TD ><A HREF = "fix_aveforce.html">aveforce</A></TD><TD ><A HREF = "fix_ave_spatial.html">ave/spatial</A></TD><TD ><A HREF = "fix_ave_time.html">ave/time</A></TD><TD ><A HREF = "fix_box_relax.html">box/relax</A></TD><TD ><A HREF = "fix_com.html">com</A></TD><TD ><A HREF = "fix_deform.html">deform</A></TD><TD ><A HREF = "fix_deposit.html">deposit</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "fix_drag.html">drag</A></TD><TD ><A HREF = "fix_efield.html">efield</A></TD><TD ><A HREF = "fix_enforce2d.html">enforce2d</A></TD><TD ><A HREF = "fix_freeze.html">freeze</A></TD><TD ><A HREF = "fix_gran_diag.html">gran/diag</A></TD><TD ><A HREF = "fix_gravity.html">gravity</A></TD><TD ><A HREF = "fix_gyration.html">gyration</A></TD><TD ><A HREF = "fix_heat.html">heat</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "fix_indent.html">indent</A></TD><TD ><A HREF = "fix_langevin.html">langevin</A></TD><TD ><A HREF = "fix_lineforce.html">lineforce</A></TD><TD ><A HREF = "fix_msd.html">msd</A></TD><TD ><A HREF = "fix_momentum.html">momentum</A></TD><TD ><A HREF = "fix_nph.html">nph</A></TD><TD ><A HREF = "fix_npt.html">npt</A></TD><TD ><A HREF = "fix_nve.html">nve</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "fix_nve_asphere.html">nve/asphere</A></TD><TD ><A HREF = "fix_nve_gran.html">nve/gran</A></TD><TD ><A HREF = "fix_nve_noforce.html">nve/noforce</A></TD><TD ><A HREF = "fix_nvt.html">nvt</A></TD><TD ><A HREF = "fix_orient_fcc.html">orient/fcc</A></TD><TD ><A HREF = "fix_planeforce.html">planeforce</A></TD><TD ><A HREF = "fix_poems.html">poems</A></TD><TD ><A HREF = "fix_pour.html">pour</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "fix_print.html">print</A></TD><TD ><A HREF = "fix_rdf.html">rdf</A></TD><TD ><A HREF = "fix_recenter.html">recenter</A></TD><TD ><A HREF = "fix_rigid.html">rigid</A></TD><TD ><A HREF = "fix_setforce.html">setforce</A></TD><TD ><A HREF = "fix_shake.html">shake</A></TD><TD ><A HREF = "fix_spring.html">spring</A></TD><TD ><A HREF = "fix_spring_rg.html">spring/rg</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "fix_spring_self.html">spring/self</A></TD><TD ><A HREF = "fix_temp_rescale.html">temp/rescale</A></TD><TD ><A HREF = "fix_tmd.html">tmd</A></TD><TD ><A HREF = "fix_uniaxial.html">uniaxial</A></TD><TD ><A HREF = "fix_viscous.html">viscous</A></TD><TD ><A HREF = "fix_volume_rescale.html">volume/rescale</A></TD><TD ><A HREF = "fix_wall_gran.html">wall/gran</A></TD><TD ><A HREF = "fix_wall_lj93.html">wall/lj93</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "fix_wall_lj126.html">wall/lj126</A></TD><TD ><A HREF = "fix_wall_reflect.html">wall/reflect</A></TD><TD ><A HREF = "fix_wiggle.html">wiggle</A>
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<TR ALIGN="center"><TD ><A HREF = "fix_drag.html">drag</A></TD><TD ><A HREF = "fix_efield.html">efield</A></TD><TD ><A HREF = "fix_ellipsoid.html">ellipsoid</A></TD><TD ><A HREF = "fix_enforce2d.html">enforce2d</A></TD><TD ><A HREF = "fix_freeze.html">freeze</A></TD><TD ><A HREF = "fix_gran_diag.html">gran/diag</A></TD><TD ><A HREF = "fix_gravity.html">gravity</A></TD><TD ><A HREF = "fix_gyration.html">gyration</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "fix_heat.html">heat</A></TD><TD ><A HREF = "fix_indent.html">indent</A></TD><TD ><A HREF = "fix_langevin.html">langevin</A></TD><TD ><A HREF = "fix_lineforce.html">lineforce</A></TD><TD ><A HREF = "fix_msd.html">msd</A></TD><TD ><A HREF = "fix_momentum.html">momentum</A></TD><TD ><A HREF = "fix_nph.html">nph</A></TD><TD ><A HREF = "fix_npt.html">npt</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "fix_npt_asphere.html">npt/asphere</A></TD><TD ><A HREF = "fix_nve.html">nve</A></TD><TD ><A HREF = "fix_nve_asphere.html">nve/asphere</A></TD><TD ><A HREF = "fix_nve_gran.html">nve/gran</A></TD><TD ><A HREF = "fix_nve_noforce.html">nve/noforce</A></TD><TD ><A HREF = "fix_nvt.html">nvt</A></TD><TD ><A HREF = "fix_nvt_asphere.html">nvt/asphere</A></TD><TD ><A HREF = "fix_orient_fcc.html">orient/fcc</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "fix_planeforce.html">planeforce</A></TD><TD ><A HREF = "fix_poems.html">poems</A></TD><TD ><A HREF = "fix_pour.html">pour</A></TD><TD ><A HREF = "fix_print.html">print</A></TD><TD ><A HREF = "fix_rdf.html">rdf</A></TD><TD ><A HREF = "fix_recenter.html">recenter</A></TD><TD ><A HREF = "fix_rigid.html">rigid</A></TD><TD ><A HREF = "fix_setforce.html">setforce</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "fix_shake.html">shake</A></TD><TD ><A HREF = "fix_spring.html">spring</A></TD><TD ><A HREF = "fix_spring_rg.html">spring/rg</A></TD><TD ><A HREF = "fix_spring_self.html">spring/self</A></TD><TD ><A HREF = "fix_temp_rescale.html">temp/rescale</A></TD><TD ><A HREF = "fix_tmd.html">tmd</A></TD><TD ><A HREF = "fix_uniaxial.html">uniaxial</A></TD><TD ><A HREF = "fix_viscous.html">viscous</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "fix_volume_rescale.html">volume/rescale</A></TD><TD ><A HREF = "fix_wall_gran.html">wall/gran</A></TD><TD ><A HREF = "fix_wall_lj93.html">wall/lj93</A></TD><TD ><A HREF = "fix_wall_lj126.html">wall/lj126</A></TD><TD ><A HREF = "fix_wall_reflect.html">wall/reflect</A></TD><TD ><A HREF = "fix_wiggle.html">wiggle</A>
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</TD></TR></TABLE></DIV>
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<HR>
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@ -273,10 +273,10 @@ Actions:
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Miscellaneous:
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"clear"_clear.html, "echo"_echo.html, "include"_include.html,
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"jump"_jump.html, "label"_label.html, "log"_log.html,
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"next"_next.html, "print"_print.html, "shell"_shell.html,
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"variable"_variable.html
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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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:line
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@ -318,6 +318,7 @@ in the command's documentation.
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"fix"_fix.html,
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"fix_modify"_fix_modify.html,
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"group"_group.html,
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"if"_if.html,
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"improper_coeff"_improper_coeff.html,
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"improper_style"_improper_style.html,
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"include"_include.html,
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@ -381,6 +382,7 @@ description:
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"deposit"_fix_deposit.html,
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"drag"_fix_drag.html,
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"efield"_fix_efield.html,
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"ellipsoid"_fix_ellipsoid.html,
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"enforce2d"_fix_enforce2d.html,
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"freeze"_fix_freeze.html,
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"gran/diag"_fix_gran_diag.html,
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@ -394,11 +396,13 @@ description:
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"momentum"_fix_momentum.html,
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"nph"_fix_nph.html,
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"npt"_fix_npt.html,
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"npt/asphere"_fix_npt_asphere.html,
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"nve"_fix_nve.html,
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"nve/asphere"_fix_nve_asphere.html,
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"nve/gran"_fix_nve_gran.html,
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"nve/noforce"_fix_nve_noforce.html,
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"nvt"_fix_nvt.html,
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"nvt/asphere"_fix_nvt_asphere.html,
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"orient/fcc"_fix_orient_fcc.html,
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"planeforce"_fix_planeforce.html,
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"poems"_fix_poems.html,
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|
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@ -0,0 +1,63 @@
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<HTML>
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<CENTER><A HREF = "http://lammps.sandia.gov">LAMMPS WWW Site</A> - <A HREF = "Manual.html">LAMMPS Documentation</A> - <A HREF = "Section_commands.html#comm">LAMMPS Commands</A>
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</CENTER>
|
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|
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|
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<HR>
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<H3>if command
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</H3>
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<P><B>Syntax:</B>
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</P>
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<PRE>if value1 operator value2 then command1 else command2
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</PRE>
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<UL><LI>value1 = 1st value
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<LI>operator = "==" or "!=" or "<" or "<=" or ">" or ">="
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<LI>value2 = 2nd value
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<LI>then = required word
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<LI>command1 = command to execute if condition is met
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<LI>else = required word (optional argument)
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<LI>command2 = command to execute if condition is not met (optional argument)
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</UL>
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<P><B>Examples:</B>
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</P>
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<PRE>if $<I>steps</I> > 1000 then exit
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if $x <= $y then "print X is smaller = $x" else "print Y is smaller = $y"
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||||
if $<I>eng</I> > 0.0 then "timestep 0.005"
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if $<I>eng</I> > $<I>eng_previous</I> then "jump file1" else "jump file2"
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</PRE>
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<P><B>Description:</B>
|
||||
</P>
|
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<P>This command provides an in-then-else test capability within an input
|
||||
script. Two values are numerically compared to each other and the
|
||||
result is TRUE or FALSE. Note that as in the examples above, either
|
||||
of the values can be variables, as defined by the
|
||||
<A HREF = "variable.html">variable</A> command, so that when they are evaluated when
|
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substituted for in the if command, a user-defined computation will be
|
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performed which can depend on the current state of the simulation.
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</P>
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<P>If the result of the if test is TRUE, then command1 is executed. This
|
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can be any valid LAMMPS input script command. If the command is more
|
||||
than 1 word, it should be enclosed in double quotes, so that it will
|
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be treated as a single argument, as in the examples above.
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</P>
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<P>The if command can contain an optional "else" clause. If it does and
|
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the result of the if test is FALSE, then command2 is executed.
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</P>
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<P>Note that if either command1 or command2 is a bogus LAMMPS command,
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such as "exit" in the first example, then executing the command will
|
||||
cause LAMMPS to halt.
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||||
</P>
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||||
<P><B>Restrictions:</B> none
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||||
</P>
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<P><B>Related commands:</B>
|
||||
</P>
|
||||
<P><A HREF = "variable.html">variable</A>
|
||||
</P>
|
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<P><B>Default:</B> none
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</P>
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||||
</HTML>
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|
|
@ -0,0 +1,58 @@
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|||
"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
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:link(lws,http://lammps.sandia.gov)
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||||
:link(ld,Manual.html)
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:link(lc,Section_commands.html#comm)
|
||||
|
||||
:line
|
||||
|
||||
if command :h3
|
||||
|
||||
[Syntax:]
|
||||
|
||||
if value1 operator value2 then command1 else command2 :pre
|
||||
|
||||
value1 = 1st value
|
||||
operator = "==" or "!=" or "<" or "<=" or ">" or ">="
|
||||
value2 = 2nd value
|
||||
then = required word
|
||||
command1 = command to execute if condition is met
|
||||
else = required word (optional argument)
|
||||
command2 = command to execute if condition is not met (optional argument) :ul
|
||||
|
||||
[Examples:]
|
||||
|
||||
if ${steps} > 1000 then exit
|
||||
if $x <= $y then "print X is smaller = $x" else "print Y is smaller = $y"
|
||||
if ${eng} > 0.0 then "timestep 0.005"
|
||||
if ${eng} > ${eng_previous} then "jump file1" else "jump file2" :pre
|
||||
|
||||
[Description:]
|
||||
|
||||
This command provides an in-then-else test capability within an input
|
||||
script. Two values are numerically compared to each other and the
|
||||
result is TRUE or FALSE. Note that as in the examples above, either
|
||||
of the values can be variables, as defined by the
|
||||
"variable"_variable.html command, so that when they are evaluated when
|
||||
substituted for in the if command, a user-defined computation will be
|
||||
performed which can depend on the current state of the simulation.
|
||||
|
||||
If the result of the if test is TRUE, then command1 is executed. This
|
||||
can be any valid LAMMPS input script command. If the command is more
|
||||
than 1 word, it should be enclosed in double quotes, so that it will
|
||||
be treated as a single argument, as in the examples above.
|
||||
|
||||
The if command can contain an optional "else" clause. If it does and
|
||||
the result of the if test is FALSE, then command2 is executed.
|
||||
|
||||
Note that if either command1 or command2 is a bogus LAMMPS command,
|
||||
such as "exit" in the first example, then executing the command will
|
||||
cause LAMMPS to halt.
|
||||
|
||||
[Restrictions:] none
|
||||
|
||||
[Related commands:]
|
||||
|
||||
"variable"_variable.html
|
||||
|
||||
[Default:] none
|
||||
|
|
@ -127,7 +127,7 @@ about how to couple LAMMPS to other codes.
|
|||
each M-length run, the command is invoked. If the command is
|
||||
specified as NULL, no command is invoked. Thus these lines:
|
||||
</P>
|
||||
<PRE>variable q equal x<B>100</B>
|
||||
<PRE>variable q equal x[100]
|
||||
run 6000 every 2000 "print Coord = $q"
|
||||
</PRE>
|
||||
<P>are the equivalent of:
|
||||
|
|
|
|||
|
|
@ -120,7 +120,7 @@ N total steps are simulated, in shorter runs of M steps each. After
|
|||
each M-length run, the command is invoked. If the command is
|
||||
specified as NULL, no command is invoked. Thus these lines:
|
||||
|
||||
variable q equal x[100]
|
||||
variable q equal x\[100\]
|
||||
run 6000 every 2000 "print Coord = $q" :pre
|
||||
|
||||
are the equivalent of:
|
||||
|
|
|
|||
Loading…
Reference in New Issue