forked from lijiext/lammps
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1001 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
sjplimp
parent
0f3f037edc
commit
90a8dba7b1
|
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@ -318,12 +318,12 @@ of each style or click on the style itself for a full description:
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</P>
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<DIV ALIGN=center><TABLE 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_atom.html">ave/atom</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_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_npt_asphere.html">npt/asphere</A></TD></TR>
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<TR ALIGN="center"><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_dipole.html">nve/dipole</A></TD><TD ><A HREF = "fix_nve_gran.html">nve/gran</A></TD><TD ><A HREF = "fix_nve_limit.html">nve/limit</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></TR>
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<TR ALIGN="center"><TD ><A HREF = "fix_nvt_sllod.html">nvt/sllod</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><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></TR>
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<TR ALIGN="center"><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><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></TR>
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<TR ALIGN="center"><TD ><A HREF = "fix_viscous.html">viscous</A></TD><TD ><A HREF = "fix_wall_gran.html">wall/gran</A></TD><TD ><A HREF = "fix_wall_lj126.html">wall/lj126</A></TD><TD ><A HREF = "fix_wall_lj93.html">wall/lj93</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_dt_reset.html">dt/reset</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></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_dipole.html">nve/dipole</A></TD><TD ><A HREF = "fix_nve_gran.html">nve/gran</A></TD><TD ><A HREF = "fix_nve_limit.html">nve/limit</A></TD><TD ><A HREF = "fix_nve_noforce.html">nve/noforce</A></TD><TD ><A HREF = "fix_nvt.html">nvt</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "fix_nvt_asphere.html">nvt/asphere</A></TD><TD ><A HREF = "fix_nvt_sllod.html">nvt/sllod</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><TD ><A HREF = "fix_print.html">print</A></TD><TD ><A HREF = "fix_rdf.html">rdf</A></TD></TR>
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<TR ALIGN="center"><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><TD ><A HREF = "fix_spring_self.html">spring/self</A></TD><TD ><A HREF = "fix_temp_rescale.html">temp/rescale</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "fix_tmd.html">tmd</A></TD><TD ><A HREF = "fix_viscous.html">viscous</A></TD><TD ><A HREF = "fix_wall_gran.html">wall/gran</A></TD><TD ><A HREF = "fix_wall_lj126.html">wall/lj126</A></TD><TD ><A HREF = "fix_wall_lj93.html">wall/lj93</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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@ -384,6 +384,7 @@ of each style or click on the style itself for a full description:
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"deform"_fix_deform.html,
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"deposit"_fix_deposit.html,
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"drag"_fix_drag.html,
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"dt/reset"_fix_dt_reset.html,
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"efield"_fix_efield.html,
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"enforce2d"_fix_enforce2d.html,
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"freeze"_fix_freeze.html,
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@ -90,6 +90,7 @@ for individual fixes for info on which ones can be restarted.
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<LI><A HREF = "fix_deform.html">deform</A> - change the simulation box size/shape
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<LI><A HREF = "fix_deposit.html">deposit</A> - add new atoms above a surface
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<LI><A HREF = "fix_drag.html">drag</A> - drag atoms towards a defined coordinate
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<LI><A HREF = "fix_dt_reset.html">dt/reset</A> - reset the timestep based on velocity, forces
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<LI><A HREF = "fix_efield.html">efield</A> - impose electric field on system
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<LI><A HREF = "fix_enforce2d.html">enforce2d</A> - zero out z-dimension velocity and force
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<LI><A HREF = "fix_freeze.html">freeze</A> - freeze atoms in a granular simulation
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@ -87,6 +87,7 @@ Here is an alphabetic list of fix styles available in LAMMPS:
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"deform"_fix_deform.html - change the simulation box size/shape
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"deposit"_fix_deposit.html - add new atoms above a surface
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"drag"_fix_drag.html - drag atoms towards a defined coordinate
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"dt/reset"_fix_dt_reset.html - reset the timestep based on velocity, forces
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"efield"_fix_efield.html - impose electric field on system
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"enforce2d"_fix_enforce2d.html - zero out z-dimension velocity and force
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"freeze"_fix_freeze.html - freeze atoms in a granular simulation
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@ -30,14 +30,14 @@ the group. This command can be used to give an additional push to
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atoms in a simulation, such as for a simulation of Poiseuille flow in
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a channel.
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</P>
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<P><B>Restart, fix_modify, thermo output, run start/stop, minimize info:</B>
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<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
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</P>
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<P>No information about this fix is written to <A HREF = "restart.html">binary restart
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files</A>. None of the <A HREF = "fix_modify.html">fix_modify</A> options
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are relevant to this fix. No quantities calculated by this fix can be
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output by the <A HREF = "thermo_style.html">thermo_style custom</A> command. No
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parameter of this fix can be used with the <I>start/stop</I> keywords of
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the <A HREF = "run.html">run</A> command.
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are relevant to this fix. No global scalar or vector or per-atom
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quantities are stored by this fix for access by various <A HREF = "Section_howto.html#4_15">output
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commands</A>. No parameter of this fix can be
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used with the <I>start/stop</I> keywords of the <A HREF = "run.html">run</A> command.
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</P>
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<P>The forces due to this fix are imposed during an energy minimization,
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invoked by the <A HREF = "minimize.html">minimize</A> command.
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@ -27,14 +27,14 @@ the group. This command can be used to give an additional push to
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atoms in a simulation, such as for a simulation of Poiseuille flow in
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a channel.
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[Restart, fix_modify, thermo output, run start/stop, minimize info:]
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[Restart, fix_modify, output, run start/stop, minimize info:]
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No information about this fix is written to "binary restart
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files"_restart.html. None of the "fix_modify"_fix_modify.html options
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are relevant to this fix. No quantities calculated by this fix can be
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output by the "thermo_style custom"_thermo_style.html command. No
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parameter of this fix can be used with the {start/stop} keywords of
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the "run"_run.html command.
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are relevant to this fix. No global scalar or vector or per-atom
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quantities are stored by this fix for access by various "output
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commands"_Section_howto.html#4_15. No parameter of this fix can be
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used with the {start/stop} keywords of the "run"_run.html command.
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The forces due to this fix are imposed during an energy minimization,
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invoked by the "minimize"_minimize.html command.
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@ -60,13 +60,20 @@ quantities per atom. This makes a difference in how the quantities
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are referenced in a <A HREF = "dump.html">dump custom</A> command, e.g. c_ID versus
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c_ID[2].
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</P>
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<P><B>Restart, fix_modify, thermo output, run start/stop, minimize info:</B>
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<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
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</P>
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<P>No information about this fix is written to <A HREF = "restart.html">binary restart
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files</A>. None of the <A HREF = "fix_modify.html">fix_modify</A> options
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are relevant to this fix. No quantities calculated by this fix can be
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output by the <A HREF = "thermo_style.html">thermo_style custom</A> command. No
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parameter of this fix can be used with the <I>start/stop</I> keywords of
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are relevant to this fix. No global scalar or vector quantities are
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stored by this fix for access by various <A HREF = "Section_howto.html#4_15">output
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commands</A>.
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</P>
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<P>This fix computes a scalar per-atom quantity or a vector of per-atom
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quantities which can be accessed by the <A HREF = "dump.html">dump custom</A> or
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<A HREF = "fix_ave_spatial.html">fix ave/spatial</A> commands, as discussed in <A HREF = "Section_howto.html#4_15">this
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section</A>.
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</P>
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<P>No parameter of this fix can be used with the <I>start/stop</I> keywords of
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the <A HREF = "run.html">run</A> command. This fix is not invoked during <A HREF = "minimize.html">energy
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minimization</A>.
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</P>
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|
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@ -57,13 +57,20 @@ quantities per atom. This makes a difference in how the quantities
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are referenced in a "dump custom"_dump.html command, e.g. c_ID versus
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c_ID\[2\].
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[Restart, fix_modify, thermo output, run start/stop, minimize info:]
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[Restart, fix_modify, output, run start/stop, minimize info:]
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No information about this fix is written to "binary restart
|
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files"_restart.html. None of the "fix_modify"_fix_modify.html options
|
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are relevant to this fix. No quantities calculated by this fix can be
|
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output by the "thermo_style custom"_thermo_style.html command. No
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parameter of this fix can be used with the {start/stop} keywords of
|
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are relevant to this fix. No global scalar or vector quantities are
|
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stored by this fix for access by various "output
|
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commands"_Section_howto.html#4_15.
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This fix computes a scalar per-atom quantity or a vector of per-atom
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quantities which can be accessed by the "dump custom"_dump.html or
|
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"fix ave/spatial"_fix_ave_spatial.html commands, as discussed in "this
|
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section"_Section_howto.html#4_15.
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No parameter of this fix can be used with the {start/stop} keywords of
|
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the "run"_run.html command. This fix is not invoked during "energy
|
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minimization"_minimize.html.
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|
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@ -193,15 +193,15 @@ only atoms in the fix group are included in the layer averaging.
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or creation of neighbor lists. If the compute is invoked too often by
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fix ave/spatial, it can slow down a simulation.
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</P>
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<P><B>Restart, fix_modify, thermo output, run start/stop, minimize info:</B>
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<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
|
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</P>
|
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<P>No information about this fix is written to <A HREF = "restart.html">binary restart
|
||||
files</A>. None of the <A HREF = "fix_modify.html">fix_modify</A> options
|
||||
are relevant to this fix. No quantities calculated by this fix can be
|
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output by the <A HREF = "thermo_style.html">thermo_style custom</A> command. No
|
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parameter of this fix can be used with the <I>start/stop</I> keywords of
|
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the <A HREF = "run.html">run</A> command. This fix is not invoked during <A HREF = "minimize.html">energy
|
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minimization</A>.
|
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are relevant to this fix. No global scalar or vector or per-atom
|
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quantities are stored by this fix for access by various <A HREF = "Section_howto.html#4_15">output
|
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commands</A>. No parameter of this fix can be
|
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used with the <I>start/stop</I> keywords of the <A HREF = "run.html">run</A> command.
|
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This fix is not invoked during <A HREF = "minimize.html">energy minimization</A>.
|
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</P>
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<P><B>Restrictions:</B> none
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</P>
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|
|
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@ -179,15 +179,15 @@ Note that some computes perform costly calculations, involving use of
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or creation of neighbor lists. If the compute is invoked too often by
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fix ave/spatial, it can slow down a simulation.
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[Restart, fix_modify, thermo output, run start/stop, minimize info:]
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[Restart, fix_modify, output, run start/stop, minimize info:]
|
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|
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No information about this fix is written to "binary restart
|
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files"_restart.html. None of the "fix_modify"_fix_modify.html options
|
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are relevant to this fix. No quantities calculated by this fix can be
|
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output by the "thermo_style custom"_thermo_style.html command. No
|
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parameter of this fix can be used with the {start/stop} keywords of
|
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the "run"_run.html command. This fix is not invoked during "energy
|
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minimization"_minimize.html.
|
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are relevant to this fix. No global scalar or vector or per-atom
|
||||
quantities are stored by this fix for access by various "output
|
||||
commands"_Section_howto.html#4_15. No parameter of this fix can be
|
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used with the {start/stop} keywords of the "run"_run.html command.
|
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This fix is not invoked during "energy minimization"_minimize.html.
|
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|
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[Restrictions:] none
|
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|
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|
|
|
|||
|
|
@ -86,15 +86,15 @@ simulation. However, if a constant pressure simulation is being run
|
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(<A HREF = "fix_npt.html">fix npt</A> or <A HREF = "fix_nph.html">fix nph</A>), LAMMPS is already
|
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calculating virial terms for the pressure every timestep.
|
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</P>
|
||||
<P><B>Restart, fix_modify, thermo output, run start/stop, minimize info:</B>
|
||||
<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
|
||||
</P>
|
||||
<P>No information about this fix is written to <A HREF = "restart.html">binary restart
|
||||
files</A>. None of the <A HREF = "fix_modify.html">fix_modify</A> options
|
||||
are relevant to this fix. No quantities calculated by this fix can be
|
||||
output by the <A HREF = "thermo_style.html">thermo_style custom</A> command. No
|
||||
parameter of this fix can be used with the <I>start/stop</I> keywords of
|
||||
the <A HREF = "run.html">run</A> command. This fix is not invoked during <A HREF = "minimize.html">energy
|
||||
minimization</A>.
|
||||
are relevant to this fix. No global scalar or vector or per-atom
|
||||
quantities are stored by this fix for access by various <A HREF = "Section_howto.html#4_15">output
|
||||
commands</A>. No parameter of this fix can be
|
||||
used with the <I>start/stop</I> keywords of the <A HREF = "run.html">run</A> command.
|
||||
This fix is not invoked during <A HREF = "minimize.html">energy minimization</A>.
|
||||
</P>
|
||||
<P><B>Restrictions:</B> none
|
||||
</P>
|
||||
|
|
|
|||
|
|
@ -83,15 +83,15 @@ simulation. However, if a constant pressure simulation is being run
|
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("fix npt"_fix_npt.html or "fix nph"_fix_nph.html), LAMMPS is already
|
||||
calculating virial terms for the pressure every timestep.
|
||||
|
||||
[Restart, fix_modify, thermo output, run start/stop, minimize info:]
|
||||
[Restart, fix_modify, output, run start/stop, minimize info:]
|
||||
|
||||
No information about this fix is written to "binary restart
|
||||
files"_restart.html. None of the "fix_modify"_fix_modify.html options
|
||||
are relevant to this fix. No quantities calculated by this fix can be
|
||||
output by the "thermo_style custom"_thermo_style.html command. No
|
||||
parameter of this fix can be used with the {start/stop} keywords of
|
||||
the "run"_run.html command. This fix is not invoked during "energy
|
||||
minimization"_minimize.html.
|
||||
are relevant to this fix. No global scalar or vector or per-atom
|
||||
quantities are stored by this fix for access by various "output
|
||||
commands"_Section_howto.html#4_15. No parameter of this fix can be
|
||||
used with the {start/stop} keywords of the "run"_run.html command.
|
||||
This fix is not invoked during "energy minimization"_minimize.html.
|
||||
|
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[Restrictions:] none
|
||||
|
||||
|
|
|
|||
|
|
@ -41,14 +41,14 @@ dimension are not changed. Note that this is not the same as
|
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specifying a 0.0 value, since that sets all forces to the same average
|
||||
value without adding in any additional force.
|
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</P>
|
||||
<P><B>Restart, fix_modify, thermo output, run start/stop, minimize info:</B>
|
||||
<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
|
||||
</P>
|
||||
<P>No information about this fix is written to <A HREF = "restart.html">binary restart
|
||||
files</A>. None of the <A HREF = "fix_modify.html">fix_modify</A> options
|
||||
are relevant to this fix. No quantities calculated by this fix can be
|
||||
output by the <A HREF = "thermo_style.html">thermo_style custom</A> command. No
|
||||
parameter of this fix can be used with the <I>start/stop</I> keywords of
|
||||
the <A HREF = "run.html">run</A> command.
|
||||
are relevant to this fix. No global scalar or vector or per-atom
|
||||
quantities are stored by this fix for access by various <A HREF = "Section_howto.html#4_15">output
|
||||
commands</A>. No parameter of this fix can be
|
||||
used with the <I>start/stop</I> keywords of the <A HREF = "run.html">run</A> command.
|
||||
</P>
|
||||
<P>The forces due to this fix are imposed during an energy minimization,
|
||||
invoked by the <A HREF = "minimize.html">minimize</A> command.
|
||||
|
|
|
|||
|
|
@ -38,14 +38,14 @@ dimension are not changed. Note that this is not the same as
|
|||
specifying a 0.0 value, since that sets all forces to the same average
|
||||
value without adding in any additional force.
|
||||
|
||||
[Restart, fix_modify, thermo output, run start/stop, minimize info:]
|
||||
[Restart, fix_modify, output, run start/stop, minimize info:]
|
||||
|
||||
No information about this fix is written to "binary restart
|
||||
files"_restart.html. None of the "fix_modify"_fix_modify.html options
|
||||
are relevant to this fix. No quantities calculated by this fix can be
|
||||
output by the "thermo_style custom"_thermo_style.html command. No
|
||||
parameter of this fix can be used with the {start/stop} keywords of
|
||||
the "run"_run.html command.
|
||||
are relevant to this fix. No global scalar or vector or per-atom
|
||||
quantities are stored by this fix for access by various "output
|
||||
commands"_Section_howto.html#4_15. No parameter of this fix can be
|
||||
used with the {start/stop} keywords of the "run"_run.html command.
|
||||
|
||||
The forces due to this fix are imposed during an energy minimization,
|
||||
invoked by the "minimize"_minimize.html command.
|
||||
|
|
|
|||
|
|
@ -30,15 +30,15 @@
|
|||
including all effects due to atoms passing thru periodic boundaries.
|
||||
Write the results to the specified file.
|
||||
</P>
|
||||
<P><B>Restart, fix_modify, thermo output, run start/stop, minimize info:</B>
|
||||
<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
|
||||
</P>
|
||||
<P>No information about this fix is written to <A HREF = "restart.html">binary restart
|
||||
files</A>. None of the <A HREF = "fix_modify.html">fix_modify</A> options
|
||||
are relevant to this fix. No quantities calculated by this fix can be
|
||||
output by the <A HREF = "thermo_style.html">thermo_style custom</A> command. No
|
||||
parameter of this fix can be used with the <I>start/stop</I> keywords of
|
||||
the <A HREF = "run.html">run</A> command. This fix is not invoked during <A HREF = "minimize.html">energy
|
||||
minimization</A>.
|
||||
are relevant to this fix. No global scalar or vector or per-atom
|
||||
quantities are stored by this fix for access by various <A HREF = "Section_howto.html#4_15">output
|
||||
commands</A>. No parameter of this fix can be
|
||||
used with the <I>start/stop</I> keywords of the <A HREF = "run.html">run</A> command.
|
||||
This fix is not invoked during <A HREF = "minimize.html">energy minimization</A>.
|
||||
</P>
|
||||
<P><B>Restrictions:</B> none
|
||||
</P>
|
||||
|
|
|
|||
|
|
@ -27,15 +27,15 @@ Compute the center-of-mass of the group of atoms every N steps,
|
|||
including all effects due to atoms passing thru periodic boundaries.
|
||||
Write the results to the specified file.
|
||||
|
||||
[Restart, fix_modify, thermo output, run start/stop, minimize info:]
|
||||
[Restart, fix_modify, output, run start/stop, minimize info:]
|
||||
|
||||
No information about this fix is written to "binary restart
|
||||
files"_restart.html. None of the "fix_modify"_fix_modify.html options
|
||||
are relevant to this fix. No quantities calculated by this fix can be
|
||||
output by the "thermo_style custom"_thermo_style.html command. No
|
||||
parameter of this fix can be used with the {start/stop} keywords of
|
||||
the "run"_run.html command. This fix is not invoked during "energy
|
||||
minimization"_minimize.html.
|
||||
are relevant to this fix. No global scalar or vector or per-atom
|
||||
quantities are stored by this fix for access by various "output
|
||||
commands"_Section_howto.html#4_15. No parameter of this fix can be
|
||||
used with the {start/stop} keywords of the "run"_run.html command.
|
||||
This fix is not invoked during "energy minimization"_minimize.html.
|
||||
|
||||
[Restrictions:] none
|
||||
|
||||
|
|
|
|||
|
|
@ -362,12 +362,13 @@ been previously used to define the lattice spacing. Note that the
|
|||
units choice also affects the <I>vel</I> style parameters since it is
|
||||
defined in terms of distance/time.
|
||||
</P>
|
||||
<P><B>Restart, fix_modify, thermo output, run start/stop, minimize info:</B>
|
||||
<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
|
||||
</P>
|
||||
<P>No information about this fix is written to <A HREF = "restart.html">binary restart
|
||||
files</A>. None of the <A HREF = "fix_modify.html">fix_modify</A> options
|
||||
are relevant to this fix. No quantities calculated by this fix can be
|
||||
output by the <A HREF = "thermo_style.html">thermo_style custom</A> command.
|
||||
are relevant to this fix. No global scalar or vector or per-atom
|
||||
quantities are stored by this fix for access by various <A HREF = "Section_howto.html#4_15">output
|
||||
commands</A>.
|
||||
</P>
|
||||
<P>This fix can perform deformation over multiple runs, using the <I>start</I>
|
||||
and <I>stop</I> keywords of the <A HREF = "run.html">run</A> command. See the
|
||||
|
|
|
|||
|
|
@ -352,12 +352,13 @@ been previously used to define the lattice spacing. Note that the
|
|||
units choice also affects the {vel} style parameters since it is
|
||||
defined in terms of distance/time.
|
||||
|
||||
[Restart, fix_modify, thermo output, run start/stop, minimize info:]
|
||||
[Restart, fix_modify, output, run start/stop, minimize info:]
|
||||
|
||||
No information about this fix is written to "binary restart
|
||||
files"_restart.html. None of the "fix_modify"_fix_modify.html options
|
||||
are relevant to this fix. No quantities calculated by this fix can be
|
||||
output by the "thermo_style custom"_thermo_style.html command.
|
||||
are relevant to this fix. No global scalar or vector or per-atom
|
||||
quantities are stored by this fix for access by various "output
|
||||
commands"_Section_howto.html#4_15.
|
||||
|
||||
This fix can perform deformation over multiple runs, using the {start}
|
||||
and {stop} keywords of the "run"_run.html command. See the
|
||||
|
|
|
|||
|
|
@ -131,7 +131,7 @@ command must have been previously used to define the lattice spacing.
|
|||
Note that the units choice affects all the keyword values that have
|
||||
units of distance or velocity.
|
||||
</P>
|
||||
<P><B>Restart, fix_modify, thermo output, run start/stop, minimize info:</B>
|
||||
<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
|
||||
</P>
|
||||
<P>No information about this fix is written to <A HREF = "restart.html">binary restart
|
||||
files</A>. This means you must be careful when restarting a
|
||||
|
|
@ -149,11 +149,11 @@ produce the same behavior if you adjust the fix deposit parameters
|
|||
appropriately.
|
||||
</P>
|
||||
<P>None of the <A HREF = "fix_modify.html">fix_modify</A> options are relevant to this
|
||||
fix. No quantities calculated by this fix can be output by the
|
||||
<A HREF = "thermo_style.html">thermo_style custom</A> command. No parameter of this
|
||||
fix can be used with the <I>start/stop</I> keywords of the <A HREF = "run.html">run</A>
|
||||
command. This fix is not invoked during <A HREF = "minimize.html">energy
|
||||
minimization</A>.
|
||||
fix. No global scalar or vector or per-atom quantities are stored by
|
||||
this fix for access by various <A HREF = "Section_howto.html#4_15">output
|
||||
commands</A>. No parameter of this fix can be
|
||||
used with the <I>start/stop</I> keywords of the <A HREF = "run.html">run</A> command.
|
||||
This fix is not invoked during <A HREF = "minimize.html">energy minimization</A>.
|
||||
</P>
|
||||
<P><B>Restrictions:</B> none
|
||||
</P>
|
||||
|
|
|
|||
|
|
@ -119,7 +119,7 @@ command must have been previously used to define the lattice spacing.
|
|||
Note that the units choice affects all the keyword values that have
|
||||
units of distance or velocity.
|
||||
|
||||
[Restart, fix_modify, thermo output, run start/stop, minimize info:]
|
||||
[Restart, fix_modify, output, run start/stop, minimize info:]
|
||||
|
||||
No information about this fix is written to "binary restart
|
||||
files"_restart.html. This means you must be careful when restarting a
|
||||
|
|
@ -137,11 +137,11 @@ produce the same behavior if you adjust the fix deposit parameters
|
|||
appropriately.
|
||||
|
||||
None of the "fix_modify"_fix_modify.html options are relevant to this
|
||||
fix. No quantities calculated by this fix can be output by the
|
||||
"thermo_style custom"_thermo_style.html command. No parameter of this
|
||||
fix can be used with the {start/stop} keywords of the "run"_run.html
|
||||
command. This fix is not invoked during "energy
|
||||
minimization"_minimize.html.
|
||||
fix. No global scalar or vector or per-atom quantities are stored by
|
||||
this fix for access by various "output
|
||||
commands"_Section_howto.html#4_15. No parameter of this fix can be
|
||||
used with the {start/stop} keywords of the "run"_run.html command.
|
||||
This fix is not invoked during "energy minimization"_minimize.html.
|
||||
|
||||
[Restrictions:] none
|
||||
|
||||
|
|
|
|||
|
|
@ -39,15 +39,15 @@ application.
|
|||
<P>This command can be used to steer one or more atoms to a new location
|
||||
in the simulation.
|
||||
</P>
|
||||
<P><B>Restart, fix_modify, thermo output, run start/stop, minimize info:</B>
|
||||
<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
|
||||
</P>
|
||||
<P>No information about this fix is written to <A HREF = "restart.html">binary restart
|
||||
files</A>. None of the <A HREF = "fix_modify.html">fix_modify</A> options
|
||||
are relevant to this fix. No quantities calculated by this fix can be
|
||||
output by the <A HREF = "thermo_style.html">thermo_style custom</A> command. No
|
||||
parameter of this fix can be used with the <I>start/stop</I> keywords of
|
||||
the <A HREF = "run.html">run</A> command. This fix is not invoked during <A HREF = "minimize.html">energy
|
||||
minimization</A>.
|
||||
are relevant to this fix. No global scalar or vector or per-atom
|
||||
quantities are stored by this fix for access by various <A HREF = "Section_howto.html#4_15">output
|
||||
commands</A>. No parameter of this fix can be
|
||||
used with the <I>start/stop</I> keywords of the <A HREF = "run.html">run</A> command.
|
||||
This fix is not invoked during <A HREF = "minimize.html">energy minimization</A>.
|
||||
</P>
|
||||
<P><B>Restrictions:</B> none
|
||||
</P>
|
||||
|
|
|
|||
|
|
@ -37,15 +37,15 @@ application.
|
|||
This command can be used to steer one or more atoms to a new location
|
||||
in the simulation.
|
||||
|
||||
[Restart, fix_modify, thermo output, run start/stop, minimize info:]
|
||||
[Restart, fix_modify, output, run start/stop, minimize info:]
|
||||
|
||||
No information about this fix is written to "binary restart
|
||||
files"_restart.html. None of the "fix_modify"_fix_modify.html options
|
||||
are relevant to this fix. No quantities calculated by this fix can be
|
||||
output by the "thermo_style custom"_thermo_style.html command. No
|
||||
parameter of this fix can be used with the {start/stop} keywords of
|
||||
the "run"_run.html command. This fix is not invoked during "energy
|
||||
minimization"_minimize.html.
|
||||
are relevant to this fix. No global scalar or vector or per-atom
|
||||
quantities are stored by this fix for access by various "output
|
||||
commands"_Section_howto.html#4_15. No parameter of this fix can be
|
||||
used with the {start/stop} keywords of the "run"_run.html command.
|
||||
This fix is not invoked during "energy minimization"_minimize.html.
|
||||
|
||||
[Restrictions:] none
|
||||
|
||||
|
|
|
|||
|
|
@ -28,15 +28,15 @@
|
|||
<P>Add a force F = qE to each charged atom in the group due to an
|
||||
external electric field being applied to the system.
|
||||
</P>
|
||||
<P><B>Restart, fix_modify, thermo output, run start/stop, minimize info:</B>
|
||||
<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
|
||||
</P>
|
||||
<P>No information about this fix is written to <A HREF = "restart.html">binary restart
|
||||
files</A>. None of the <A HREF = "fix_modify.html">fix_modify</A> options
|
||||
are relevant to this fix. No quantities calculated by this fix can be
|
||||
output by the <A HREF = "thermo_style.html">thermo_style custom</A> command. No
|
||||
parameter of this fix can be used with the <I>start/stop</I> keywords of
|
||||
the <A HREF = "run.html">run</A> command. This fix is not invoked during <A HREF = "minimize.html">energy
|
||||
minimization</A>.
|
||||
are relevant to this fix. No global scalar or vector or per-atom
|
||||
quantities are stored by this fix for access by various <A HREF = "Section_howto.html#4_15">output
|
||||
commands</A>. No parameter of this fix can be
|
||||
used with the <I>start/stop</I> keywords of the <A HREF = "run.html">run</A> command.
|
||||
This fix is not invoked during <A HREF = "minimize.html">energy minimization</A>.
|
||||
</P>
|
||||
<P><B>Restrictions:</B> none
|
||||
</P>
|
||||
|
|
|
|||
|
|
@ -25,15 +25,15 @@ fix kick external-field efield 1.0 0.0 0.0 :pre
|
|||
Add a force F = qE to each charged atom in the group due to an
|
||||
external electric field being applied to the system.
|
||||
|
||||
[Restart, fix_modify, thermo output, run start/stop, minimize info:]
|
||||
[Restart, fix_modify, output, run start/stop, minimize info:]
|
||||
|
||||
No information about this fix is written to "binary restart
|
||||
files"_restart.html. None of the "fix_modify"_fix_modify.html options
|
||||
are relevant to this fix. No quantities calculated by this fix can be
|
||||
output by the "thermo_style custom"_thermo_style.html command. No
|
||||
parameter of this fix can be used with the {start/stop} keywords of
|
||||
the "run"_run.html command. This fix is not invoked during "energy
|
||||
minimization"_minimize.html.
|
||||
are relevant to this fix. No global scalar or vector or per-atom
|
||||
quantities are stored by this fix for access by various "output
|
||||
commands"_Section_howto.html#4_15. No parameter of this fix can be
|
||||
used with the {start/stop} keywords of the "run"_run.html command.
|
||||
This fix is not invoked during "energy minimization"_minimize.html.
|
||||
|
||||
[Restrictions:] none
|
||||
|
||||
|
|
|
|||
|
|
@ -28,14 +28,14 @@
|
|||
This is useful when running a 2d simulation to insure that atoms do
|
||||
not move from their initial z coordinate.
|
||||
</P>
|
||||
<P><B>Restart, fix_modify, thermo output, run start/stop, minimize info:</B>
|
||||
<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
|
||||
</P>
|
||||
<P>No information about this fix is written to <A HREF = "restart.html">binary restart
|
||||
files</A>. None of the <A HREF = "fix_modify.html">fix_modify</A> options
|
||||
are relevant to this fix. No quantities calculated by this fix can be
|
||||
output by the <A HREF = "thermo_style.html">thermo_style custom</A> command. No
|
||||
parameter of this fix can be used with the <I>start/stop</I> keywords of
|
||||
the <A HREF = "run.html">run</A> command.
|
||||
are relevant to this fix. No global scalar or vector or per-atom
|
||||
quantities are stored by this fix for access by various <A HREF = "Section_howto.html#4_15">output
|
||||
commands</A>. No parameter of this fix can be
|
||||
used with the <I>start/stop</I> keywords of the <A HREF = "run.html">run</A> command.
|
||||
</P>
|
||||
<P>The forces due to this fix are imposed during an energy minimization,
|
||||
invoked by the <A HREF = "minimize.html">minimize</A> command.
|
||||
|
|
|
|||
|
|
@ -25,14 +25,14 @@ Zero out the z-dimension velocity and force on each atom in the group.
|
|||
This is useful when running a 2d simulation to insure that atoms do
|
||||
not move from their initial z coordinate.
|
||||
|
||||
[Restart, fix_modify, thermo output, run start/stop, minimize info:]
|
||||
[Restart, fix_modify, output, run start/stop, minimize info:]
|
||||
|
||||
No information about this fix is written to "binary restart
|
||||
files"_restart.html. None of the "fix_modify"_fix_modify.html options
|
||||
are relevant to this fix. No quantities calculated by this fix can be
|
||||
output by the "thermo_style custom"_thermo_style.html command. No
|
||||
parameter of this fix can be used with the {start/stop} keywords of
|
||||
the "run"_run.html command.
|
||||
are relevant to this fix. No global scalar or vector or per-atom
|
||||
quantities are stored by this fix for access by various "output
|
||||
commands"_Section_howto.html#4_15. No parameter of this fix can be
|
||||
used with the {start/stop} keywords of the "run"_run.html command.
|
||||
|
||||
The forces due to this fix are imposed during an energy minimization,
|
||||
invoked by the "minimize"_minimize.html command.
|
||||
|
|
|
|||
|
|
@ -27,15 +27,15 @@
|
|||
<P>Zero out the force and torque on a granular particle. This is useful
|
||||
for preventing certain particles from moving in a simulation.
|
||||
</P>
|
||||
<P><B>Restart, fix_modify, thermo output, run start/stop, minimize info:</B>
|
||||
<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
|
||||
</P>
|
||||
<P>No information about this fix is written to <A HREF = "restart.html">binary restart
|
||||
files</A>. None of the <A HREF = "fix_modify.html">fix_modify</A> options
|
||||
are relevant to this fix. No quantities calculated by this fix can be
|
||||
output by the <A HREF = "thermo_style.html">thermo_style custom</A> command. No
|
||||
parameter of this fix can be used with the <I>start/stop</I> keywords of
|
||||
the <A HREF = "run.html">run</A> command. This fix is not invoked during <A HREF = "minimize.html">energy
|
||||
minimization</A>.
|
||||
are relevant to this fix. No global scalar or vector or per-atom
|
||||
quantities are stored by this fix for access by various <A HREF = "Section_howto.html#4_15">output
|
||||
commands</A>. No parameter of this fix can be
|
||||
used with the <I>start/stop</I> keywords of the <A HREF = "run.html">run</A> command.
|
||||
This fix is not invoked during <A HREF = "minimize.html">energy minimization</A>.
|
||||
</P>
|
||||
<P><B>Restrictions:</B>
|
||||
</P>
|
||||
|
|
|
|||
|
|
@ -24,15 +24,15 @@ fix 2 bottom freeze :pre
|
|||
Zero out the force and torque on a granular particle. This is useful
|
||||
for preventing certain particles from moving in a simulation.
|
||||
|
||||
[Restart, fix_modify, thermo output, run start/stop, minimize info:]
|
||||
[Restart, fix_modify, output, run start/stop, minimize info:]
|
||||
|
||||
No information about this fix is written to "binary restart
|
||||
files"_restart.html. None of the "fix_modify"_fix_modify.html options
|
||||
are relevant to this fix. No quantities calculated by this fix can be
|
||||
output by the "thermo_style custom"_thermo_style.html command. No
|
||||
parameter of this fix can be used with the {start/stop} keywords of
|
||||
the "run"_run.html command. This fix is not invoked during "energy
|
||||
minimization"_minimize.html.
|
||||
are relevant to this fix. No global scalar or vector or per-atom
|
||||
quantities are stored by this fix for access by various "output
|
||||
commands"_Section_howto.html#4_15. No parameter of this fix can be
|
||||
used with the {start/stop} keywords of the "run"_run.html command.
|
||||
This fix is not invoked during "energy minimization"_minimize.html.
|
||||
|
||||
[Restrictions:]
|
||||
|
||||
|
|
|
|||
|
|
@ -36,15 +36,15 @@ system and extend upward with a thickness of <I>layer</I> for each bin.
|
|||
The quantities written to the file are averaged over all atoms in the
|
||||
bin.
|
||||
</P>
|
||||
<P><B>Restart, fix_modify, thermo output, run start/stop, minimize info:</B>
|
||||
<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
|
||||
</P>
|
||||
<P>No information about this fix is written to <A HREF = "restart.html">binary restart
|
||||
files</A>. None of the <A HREF = "fix_modify.html">fix_modify</A> options
|
||||
are relevant to this fix. No quantities calculated by this fix can be
|
||||
output by the <A HREF = "thermo_style.html">thermo_style custom</A> command. No
|
||||
parameter of this fix can be used with the <I>start/stop</I> keywords of
|
||||
the <A HREF = "run.html">run</A> command. This fix is not invoked during <A HREF = "minimize.html">energy
|
||||
minimization</A>.
|
||||
are relevant to this fix. No global scalar or vector or per-atom
|
||||
quantities are stored by this fix for access by various <A HREF = "Section_howto.html#4_15">output
|
||||
commands</A>. No parameter of this fix can be
|
||||
used with the <I>start/stop</I> keywords of the <A HREF = "run.html">run</A> command.
|
||||
This fix is not invoked during <A HREF = "minimize.html">energy minimization</A>.
|
||||
</P>
|
||||
<P><B>Restrictions:</B>
|
||||
</P>
|
||||
|
|
|
|||
|
|
@ -33,15 +33,15 @@ system and extend upward with a thickness of {layer} for each bin.
|
|||
The quantities written to the file are averaged over all atoms in the
|
||||
bin.
|
||||
|
||||
[Restart, fix_modify, thermo output, run start/stop, minimize info:]
|
||||
[Restart, fix_modify, output, run start/stop, minimize info:]
|
||||
|
||||
No information about this fix is written to "binary restart
|
||||
files"_restart.html. None of the "fix_modify"_fix_modify.html options
|
||||
are relevant to this fix. No quantities calculated by this fix can be
|
||||
output by the "thermo_style custom"_thermo_style.html command. No
|
||||
parameter of this fix can be used with the {start/stop} keywords of
|
||||
the "run"_run.html command. This fix is not invoked during "energy
|
||||
minimization"_minimize.html.
|
||||
are relevant to this fix. No global scalar or vector or per-atom
|
||||
quantities are stored by this fix for access by various "output
|
||||
commands"_Section_howto.html#4_15. No parameter of this fix can be
|
||||
used with the {start/stop} keywords of the "run"_run.html command.
|
||||
This fix is not invoked during "energy minimization"_minimize.html.
|
||||
|
||||
[Restrictions:]
|
||||
|
||||
|
|
|
|||
|
|
@ -85,15 +85,15 @@ and <I>phi_grad</I> are ignored.
|
|||
<P>Style <I>vector</I> imposes an acceleration in the vector direction given
|
||||
by (x,y,z). For 2d systems, the z component is ignored.
|
||||
</P>
|
||||
<P><B>Restart, fix_modify, thermo output, run start/stop, minimize info:</B>
|
||||
<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
|
||||
</P>
|
||||
<P>No information about this fix is written to <A HREF = "restart.html">binary restart
|
||||
files</A>. None of the <A HREF = "fix_modify.html">fix_modify</A> options
|
||||
are relevant to this fix. No quantities calculated by this fix can be
|
||||
output by the <A HREF = "thermo_style.html">thermo_style custom</A> command. No
|
||||
parameter of this fix can be used with the <I>start/stop</I> keywords of
|
||||
the <A HREF = "run.html">run</A> command. This fix is not invoked during <A HREF = "minimize.html">energy
|
||||
minimization</A>.
|
||||
are relevant to this fix. No global scalar or vector or per-atom
|
||||
quantities are stored by this fix for access by various <A HREF = "Section_howto.html#4_15">output
|
||||
commands</A>. No parameter of this fix can be
|
||||
used with the <I>start/stop</I> keywords of the <A HREF = "run.html">run</A> command.
|
||||
This fix is not invoked during <A HREF = "minimize.html">energy minimization</A>.
|
||||
</P>
|
||||
<P><B>Restrictions:</B> none
|
||||
</P>
|
||||
|
|
|
|||
|
|
@ -77,15 +77,15 @@ and {phi_grad} are ignored.
|
|||
Style {vector} imposes an acceleration in the vector direction given
|
||||
by (x,y,z). For 2d systems, the z component is ignored.
|
||||
|
||||
[Restart, fix_modify, thermo output, run start/stop, minimize info:]
|
||||
[Restart, fix_modify, output, run start/stop, minimize info:]
|
||||
|
||||
No information about this fix is written to "binary restart
|
||||
files"_restart.html. None of the "fix_modify"_fix_modify.html options
|
||||
are relevant to this fix. No quantities calculated by this fix can be
|
||||
output by the "thermo_style custom"_thermo_style.html command. No
|
||||
parameter of this fix can be used with the {start/stop} keywords of
|
||||
the "run"_run.html command. This fix is not invoked during "energy
|
||||
minimization"_minimize.html.
|
||||
are relevant to this fix. No global scalar or vector or per-atom
|
||||
quantities are stored by this fix for access by various "output
|
||||
commands"_Section_howto.html#4_15. No parameter of this fix can be
|
||||
used with the {start/stop} keywords of the "run"_run.html command.
|
||||
This fix is not invoked during "energy minimization"_minimize.html.
|
||||
|
||||
[Restrictions:] none
|
||||
|
||||
|
|
|
|||
|
|
@ -38,15 +38,15 @@ this formula
|
|||
<P>where M is the total mass of the group and Rcm is the center-of-mass
|
||||
position of the group.
|
||||
</P>
|
||||
<P><B>Restart, fix_modify, thermo output, run start/stop, minimize info:</B>
|
||||
<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
|
||||
</P>
|
||||
<P>No information about this fix is written to <A HREF = "restart.html">binary restart
|
||||
files</A>. None of the <A HREF = "fix_modify.html">fix_modify</A> options
|
||||
are relevant to this fix. No quantities calculated by this fix can be
|
||||
output by the <A HREF = "thermo_style.html">thermo_style custom</A> command. No
|
||||
parameter of this fix can be used with the <I>start/stop</I> keywords of
|
||||
the <A HREF = "run.html">run</A> command. This fix is not invoked during <A HREF = "minimize.html">energy
|
||||
minimization</A>.
|
||||
are relevant to this fix. No global scalar or vector or per-atom
|
||||
quantities are stored by this fix for access by various <A HREF = "Section_howto.html#4_15">output
|
||||
commands</A>. No parameter of this fix can be
|
||||
used with the <I>start/stop</I> keywords of the <A HREF = "run.html">run</A> command.
|
||||
This fix is not invoked during <A HREF = "minimize.html">energy minimization</A>.
|
||||
</P>
|
||||
<P><B>Restrictions:</B> none
|
||||
</P>
|
||||
|
|
|
|||
|
|
@ -35,15 +35,15 @@ this formula
|
|||
where M is the total mass of the group and Rcm is the center-of-mass
|
||||
position of the group.
|
||||
|
||||
[Restart, fix_modify, thermo output, run start/stop, minimize info:]
|
||||
[Restart, fix_modify, output, run start/stop, minimize info:]
|
||||
|
||||
No information about this fix is written to "binary restart
|
||||
files"_restart.html. None of the "fix_modify"_fix_modify.html options
|
||||
are relevant to this fix. No quantities calculated by this fix can be
|
||||
output by the "thermo_style custom"_thermo_style.html command. No
|
||||
parameter of this fix can be used with the {start/stop} keywords of
|
||||
the "run"_run.html command. This fix is not invoked during "energy
|
||||
minimization"_minimize.html.
|
||||
are relevant to this fix. No global scalar or vector or per-atom
|
||||
quantities are stored by this fix for access by various "output
|
||||
commands"_Section_howto.html#4_15. No parameter of this fix can be
|
||||
used with the {start/stop} keywords of the "run"_run.html command.
|
||||
This fix is not invoked during "energy minimization"_minimize.html.
|
||||
|
||||
[Restrictions:] none
|
||||
|
||||
|
|
|
|||
|
|
@ -59,15 +59,15 @@ not normally be used on atoms that have their temperature controlled
|
|||
by another fix - e.g. <A HREF = "fix_nvt.html">fix nvt</A> or <A HREF = "fix_langevin.html">fix
|
||||
langevin</A> fix.
|
||||
</P>
|
||||
<P><B>Restart, fix_modify, thermo output, run start/stop, minimize info:</B>
|
||||
<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
|
||||
</P>
|
||||
<P>No information about this fix is written to <A HREF = "restart.html">binary restart
|
||||
files</A>. None of the <A HREF = "fix_modify.html">fix_modify</A> options
|
||||
are relevant to this fix. No quantities calculated by this fix can be
|
||||
output by the <A HREF = "thermo_style.html">thermo_style custom</A> command. No
|
||||
parameter of this fix can be used with the <I>start/stop</I> keywords of
|
||||
the <A HREF = "run.html">run</A> command. This fix is not invoked during <A HREF = "minimize.html">energy
|
||||
minimization</A>.
|
||||
are relevant to this fix. No global scalar or vector or per-atom
|
||||
quantities are stored by this fix for access by various <A HREF = "Section_howto.html#4_15">output
|
||||
commands</A>. No parameter of this fix can be
|
||||
used with the <I>start/stop</I> keywords of the <A HREF = "run.html">run</A> command.
|
||||
This fix is not invoked during <A HREF = "minimize.html">energy minimization</A>.
|
||||
</P>
|
||||
<P><B>Restrictions:</B> none
|
||||
</P>
|
||||
|
|
|
|||
|
|
@ -56,15 +56,15 @@ not normally be used on atoms that have their temperature controlled
|
|||
by another fix - e.g. "fix nvt"_fix_nvt.html or "fix
|
||||
langevin"_fix_langevin.html fix.
|
||||
|
||||
[Restart, fix_modify, thermo output, run start/stop, minimize info:]
|
||||
[Restart, fix_modify, output, run start/stop, minimize info:]
|
||||
|
||||
No information about this fix is written to "binary restart
|
||||
files"_restart.html. None of the "fix_modify"_fix_modify.html options
|
||||
are relevant to this fix. No quantities calculated by this fix can be
|
||||
output by the "thermo_style custom"_thermo_style.html command. No
|
||||
parameter of this fix can be used with the {start/stop} keywords of
|
||||
the "run"_run.html command. This fix is not invoked during "energy
|
||||
minimization"_minimize.html.
|
||||
are relevant to this fix. No global scalar or vector or per-atom
|
||||
quantities are stored by this fix for access by various "output
|
||||
commands"_Section_howto.html#4_15. No parameter of this fix can be
|
||||
used with the {start/stop} keywords of the "run"_run.html command.
|
||||
This fix is not invoked during "energy minimization"_minimize.html.
|
||||
|
||||
[Restrictions:] none
|
||||
|
||||
|
|
|
|||
|
|
@ -94,7 +94,7 @@ choice affects not only the indenter's physical geometry, but also its
|
|||
velocity and force constant since they are defined in terms of
|
||||
distance as well.
|
||||
</P>
|
||||
<P><B>Restart, fix_modify, thermo output, run start/stop, minimize info:</B>
|
||||
<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
|
||||
</P>
|
||||
<P>No information about this fix is written to <A HREF = "restart.html">binary restart
|
||||
files</A>.
|
||||
|
|
|
|||
|
|
@ -85,7 +85,7 @@ choice affects not only the indenter's physical geometry, but also its
|
|||
velocity and force constant since they are defined in terms of
|
||||
distance as well.
|
||||
|
||||
[Restart, fix_modify, thermo output, run start/stop, minimize info:]
|
||||
[Restart, fix_modify, output, run start/stop, minimize info:]
|
||||
|
||||
No information about this fix is written to "binary restart
|
||||
files"_restart.html.
|
||||
|
|
|
|||
|
|
@ -117,7 +117,7 @@ should not normally be used on atoms that also have their temperature
|
|||
controlled by another fix - e.g. a <A HREF = "fix_nvt.html">nvt</A> or
|
||||
<A HREF = "fix_temp_rescale.html">temp/rescale</A> fix.
|
||||
</P>
|
||||
<P><B>Restart, fix_modify, thermo output, run start/stop, minimize info:</B>
|
||||
<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
|
||||
</P>
|
||||
<P>No information about this fix is written to <A HREF = "restart.html">binary restart
|
||||
files</A>. Because the state of the random number generator
|
||||
|
|
@ -126,9 +126,10 @@ restarts with this fix, where the simulation continues on the same as
|
|||
if no restart had taken place. However, in a statistical sense, a
|
||||
restarted simulation should produce the same behavior.
|
||||
</P>
|
||||
<P>None of the <A HREF = "fix_modify.html">fix_modify</A> options
|
||||
are relevant to this fix. No quantities calculated by this fix can be
|
||||
output by the <A HREF = "thermo_style.html">thermo_style custom</A> command.
|
||||
<P>None of the <A HREF = "fix_modify.html">fix_modify</A> options are relevant to this
|
||||
fix. No global scalar or vector or per-atom quantities are stored by
|
||||
this fix for access by various <A HREF = "Section_howto.html#4_15">output
|
||||
commands</A>.
|
||||
</P>
|
||||
<P>This fix can ramp its target temperature over multiple runs, using the
|
||||
<I>start</I> and <I>stop</I> keywords of the <A HREF = "run.html">run</A> command. See the
|
||||
|
|
|
|||
|
|
@ -107,7 +107,7 @@ should not normally be used on atoms that also have their temperature
|
|||
controlled by another fix - e.g. a "nvt"_fix_nvt.html or
|
||||
"temp/rescale"_fix_temp_rescale.html fix.
|
||||
|
||||
[Restart, fix_modify, thermo output, run start/stop, minimize info:]
|
||||
[Restart, fix_modify, output, run start/stop, minimize info:]
|
||||
|
||||
No information about this fix is written to "binary restart
|
||||
files"_restart.html. Because the state of the random number generator
|
||||
|
|
@ -116,9 +116,10 @@ restarts with this fix, where the simulation continues on the same as
|
|||
if no restart had taken place. However, in a statistical sense, a
|
||||
restarted simulation should produce the same behavior.
|
||||
|
||||
None of the "fix_modify"_fix_modify.html options
|
||||
are relevant to this fix. No quantities calculated by this fix can be
|
||||
output by the "thermo_style custom"_thermo_style.html command.
|
||||
None of the "fix_modify"_fix_modify.html options are relevant to this
|
||||
fix. No global scalar or vector or per-atom quantities are stored by
|
||||
this fix for access by various "output
|
||||
commands"_Section_howto.html#4_15.
|
||||
|
||||
This fix can ramp its target temperature over multiple runs, using the
|
||||
{start} and {stop} keywords of the "run"_run.html command. See the
|
||||
|
|
|
|||
|
|
@ -33,14 +33,14 @@ line.
|
|||
<P>If the initial velocity of the atom is 0.0 (or along the line), then
|
||||
it should continue to move along the line thereafter.
|
||||
</P>
|
||||
<P><B>Restart, fix_modify, thermo output, run start/stop, minimize info:</B>
|
||||
<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
|
||||
</P>
|
||||
<P>No information about this fix is written to <A HREF = "restart.html">binary restart
|
||||
files</A>. None of the <A HREF = "fix_modify.html">fix_modify</A> options
|
||||
are relevant to this fix. No quantities calculated by this fix can be
|
||||
output by the <A HREF = "thermo_style.html">thermo_style custom</A> command. No
|
||||
parameter of this fix can be used with the <I>start/stop</I> keywords of
|
||||
the <A HREF = "run.html">run</A> command.
|
||||
are relevant to this fix. No global scalar or vector or per-atom
|
||||
quantities are stored by this fix for access by various <A HREF = "Section_howto.html#4_15">output
|
||||
commands</A>. No parameter of this fix can be
|
||||
used with the <I>start/stop</I> keywords of the <A HREF = "run.html">run</A> command.
|
||||
</P>
|
||||
<P>The forces due to this fix are imposed during an energy minimization,
|
||||
invoked by the <A HREF = "minimize.html">minimize</A> command.
|
||||
|
|
|
|||
|
|
@ -30,14 +30,14 @@ line.
|
|||
If the initial velocity of the atom is 0.0 (or along the line), then
|
||||
it should continue to move along the line thereafter.
|
||||
|
||||
[Restart, fix_modify, thermo output, run start/stop, minimize info:]
|
||||
[Restart, fix_modify, output, run start/stop, minimize info:]
|
||||
|
||||
No information about this fix is written to "binary restart
|
||||
files"_restart.html. None of the "fix_modify"_fix_modify.html options
|
||||
are relevant to this fix. No quantities calculated by this fix can be
|
||||
output by the "thermo_style custom"_thermo_style.html command. No
|
||||
parameter of this fix can be used with the {start/stop} keywords of
|
||||
the "run"_run.html command.
|
||||
are relevant to this fix. No global scalar or vector or per-atom
|
||||
quantities are stored by this fix for access by various "output
|
||||
commands"_Section_howto.html#4_15. No parameter of this fix can be
|
||||
used with the {start/stop} keywords of the "run"_run.html command.
|
||||
|
||||
The forces due to this fix are imposed during an energy minimization,
|
||||
invoked by the "minimize"_minimize.html command.
|
||||
|
|
|
|||
|
|
@ -58,15 +58,15 @@ thermostatting).
|
|||
<P>Note that the <A HREF = "velocity.html">velocity</A> command can be used to create
|
||||
initial velocities with zero aggregate linear and/or angular momentum.
|
||||
</P>
|
||||
<P><B>Restart, fix_modify, thermo output, run start/stop, minimize info:</B>
|
||||
<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
|
||||
</P>
|
||||
<P>No information about this fix is written to <A HREF = "restart.html">binary restart
|
||||
files</A>. None of the <A HREF = "fix_modify.html">fix_modify</A> options
|
||||
are relevant to this fix. No quantities calculated by this fix can be
|
||||
output by the <A HREF = "thermo_style.html">thermo_style custom</A> command. No
|
||||
parameter of this fix can be used with the <I>start/stop</I> keywords of
|
||||
the <A HREF = "run.html">run</A> command. This fix is not invoked during <A HREF = "minimize.html">energy
|
||||
minimization</A>.
|
||||
are relevant to this fix. No global scalar or vector or per-atom
|
||||
quantities are stored by this fix for access by various <A HREF = "Section_howto.html#4_15">output
|
||||
commands</A>. No parameter of this fix can be
|
||||
used with the <I>start/stop</I> keywords of the <A HREF = "run.html">run</A> command.
|
||||
This fix is not invoked during <A HREF = "minimize.html">energy minimization</A>.
|
||||
</P>
|
||||
<P><B>Restrictions:</B> none
|
||||
</P>
|
||||
|
|
|
|||
|
|
@ -50,15 +50,15 @@ thermostatting).
|
|||
Note that the "velocity"_velocity.html command can be used to create
|
||||
initial velocities with zero aggregate linear and/or angular momentum.
|
||||
|
||||
[Restart, fix_modify, thermo output, run start/stop, minimize info:]
|
||||
[Restart, fix_modify, output, run start/stop, minimize info:]
|
||||
|
||||
No information about this fix is written to "binary restart
|
||||
files"_restart.html. None of the "fix_modify"_fix_modify.html options
|
||||
are relevant to this fix. No quantities calculated by this fix can be
|
||||
output by the "thermo_style custom"_thermo_style.html command. No
|
||||
parameter of this fix can be used with the {start/stop} keywords of
|
||||
the "run"_run.html command. This fix is not invoked during "energy
|
||||
minimization"_minimize.html.
|
||||
are relevant to this fix. No global scalar or vector or per-atom
|
||||
quantities are stored by this fix for access by various "output
|
||||
commands"_Section_howto.html#4_15. No parameter of this fix can be
|
||||
used with the {start/stop} keywords of the "run"_run.html command.
|
||||
This fix is not invoked during "energy minimization"_minimize.html.
|
||||
|
||||
[Restrictions:] none
|
||||
|
||||
|
|
|
|||
|
|
@ -42,7 +42,7 @@ MSD of rigid bodies as they cross periodic boundaries, you will need
|
|||
to post-process a <A HREF = "dump.html">dump file</A> containing coordinates of the
|
||||
atomss in the bodies.
|
||||
</P>
|
||||
<P><B>Restart, fix_modify, thermo output, run start/stop, minimize info:</B>
|
||||
<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
|
||||
</P>
|
||||
<P>This fix writes the original coordinates of diffusing atoms to <A HREF = "restart.html">binary
|
||||
restart files</A>, so that the mean-squared displacement
|
||||
|
|
@ -52,11 +52,11 @@ a fix in an input script that reads a restart file, so that the
|
|||
operation of the fix continues in an uninterrupted fashion.
|
||||
</P>
|
||||
<P>None of the <A HREF = "fix_modify.html">fix_modify</A> options are relevant to this
|
||||
fix. No quantities calculated by this fix can be output by the
|
||||
<A HREF = "thermo_style.html">thermo_style custom</A> command. No parameter of this
|
||||
fix can be used with the <I>start/stop</I> keywords of the <A HREF = "run.html">run</A>
|
||||
command. This fix is not invoked during <A HREF = "minimize.html">energy
|
||||
minimization</A>.
|
||||
fix. No global scalar or vector or per-atom quantities are stored by
|
||||
this fix for access by various <A HREF = "Section_howto.html#4_15">output
|
||||
commands</A>. No parameter of this fix can be
|
||||
used with the <I>start/stop</I> keywords of the <A HREF = "run.html">run</A> command.
|
||||
This fix is not invoked during <A HREF = "minimize.html">energy minimization</A>.
|
||||
</P>
|
||||
<P><B>Restrictions:</B> none
|
||||
</P>
|
||||
|
|
|
|||
|
|
@ -39,7 +39,7 @@ MSD of rigid bodies as they cross periodic boundaries, you will need
|
|||
to post-process a "dump file"_dump.html containing coordinates of the
|
||||
atomss in the bodies.
|
||||
|
||||
[Restart, fix_modify, thermo output, run start/stop, minimize info:]
|
||||
[Restart, fix_modify, output, run start/stop, minimize info:]
|
||||
|
||||
This fix writes the original coordinates of diffusing atoms to "binary
|
||||
restart files"_restart.html, so that the mean-squared displacement
|
||||
|
|
@ -49,11 +49,11 @@ a fix in an input script that reads a restart file, so that the
|
|||
operation of the fix continues in an uninterrupted fashion.
|
||||
|
||||
None of the "fix_modify"_fix_modify.html options are relevant to this
|
||||
fix. No quantities calculated by this fix can be output by the
|
||||
"thermo_style custom"_thermo_style.html command. No parameter of this
|
||||
fix can be used with the {start/stop} keywords of the "run"_run.html
|
||||
command. This fix is not invoked during "energy
|
||||
minimization"_minimize.html.
|
||||
fix. No global scalar or vector or per-atom quantities are stored by
|
||||
this fix for access by various "output
|
||||
commands"_Section_howto.html#4_15. No parameter of this fix can be
|
||||
used with the {start/stop} keywords of the "run"_run.html command.
|
||||
This fix is not invoked during "energy minimization"_minimize.html.
|
||||
|
||||
[Restrictions:] none
|
||||
|
||||
|
|
|
|||
|
|
@ -146,7 +146,7 @@ custom</A> command using the appropriate compute-ID.
|
|||
It also means that changing attributes of <I>thermo_temp</I> or
|
||||
<I>thermo_pressure</I> will have no effect on this fix.
|
||||
</P>
|
||||
<P><B>Restart, fix_modify, thermo output, run start/stop, minimize info:</B>
|
||||
<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
|
||||
</P>
|
||||
<P>This fix writes the state of the Nose/Hoover barostat to <A HREF = "restart.html">binary
|
||||
restart files</A>. See the <A HREF = "read_restart.html">read_restart</A>
|
||||
|
|
|
|||
|
|
@ -136,7 +136,7 @@ custom"_thermo_style.html command using the appropriate compute-ID.
|
|||
It also means that changing attributes of {thermo_temp} or
|
||||
{thermo_pressure} will have no effect on this fix.
|
||||
|
||||
[Restart, fix_modify, thermo output, run start/stop, minimize info:]
|
||||
[Restart, fix_modify, output, run start/stop, minimize info:]
|
||||
|
||||
This fix writes the state of the Nose/Hoover barostat to "binary
|
||||
restart files"_restart.html. See the "read_restart"_read_restart.html
|
||||
|
|
|
|||
|
|
@ -149,7 +149,7 @@ custom</A> command using the appropriate compute-ID.
|
|||
It also means that changing attributes of <I>thermo_temp</I> or
|
||||
<I>thermo_pressure</I> will have no effect on this fix.
|
||||
</P>
|
||||
<P><B>Restart, fix_modify, thermo output, run start/stop, minimize info:</B>
|
||||
<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
|
||||
</P>
|
||||
<P>This fix writes the state of the Nose/Hoover thermostat and barostat
|
||||
to <A HREF = "restart.html">binary restart files</A>. See the
|
||||
|
|
|
|||
|
|
@ -138,7 +138,7 @@ custom"_thermo_style.html command using the appropriate compute-ID.
|
|||
It also means that changing attributes of {thermo_temp} or
|
||||
{thermo_pressure} will have no effect on this fix.
|
||||
|
||||
[Restart, fix_modify, thermo output, run start/stop, minimize info:]
|
||||
[Restart, fix_modify, output, run start/stop, minimize info:]
|
||||
|
||||
This fix writes the state of the Nose/Hoover thermostat and barostat
|
||||
to "binary restart files"_restart.html. See the
|
||||
|
|
|
|||
|
|
@ -150,7 +150,7 @@ custom</A> command using the appropriate compute-ID.
|
|||
It also means that changing attributes of <I>thermo_temp</I> or
|
||||
<I>thermo_press</I> will have no effect on this fix.
|
||||
</P>
|
||||
<P><B>Restart, fix_modify, thermo output, run start/stop, minimize info:</B>
|
||||
<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
|
||||
</P>
|
||||
<P>This fix writes the state of the Nose/Hoover thermostat and barostat
|
||||
to <A HREF = "restart.html">binary restart files</A>. See the
|
||||
|
|
|
|||
|
|
@ -139,7 +139,7 @@ custom"_thermo_style.html command using the appropriate compute-ID.
|
|||
It also means that changing attributes of {thermo_temp} or
|
||||
{thermo_press} will have no effect on this fix.
|
||||
|
||||
[Restart, fix_modify, thermo output, run start/stop, minimize info:]
|
||||
[Restart, fix_modify, output, run start/stop, minimize info:]
|
||||
|
||||
This fix writes the state of the Nose/Hoover thermostat and barostat
|
||||
to "binary restart files"_restart.html. See the
|
||||
|
|
|
|||
|
|
@ -28,15 +28,15 @@
|
|||
group each timestep. V is volume; E is energy. This creates a system
|
||||
trajectory consistent with the microcanonical ensemble.
|
||||
</P>
|
||||
<P><B>Restart, fix_modify, thermo output, run start/stop, minimize info:</B>
|
||||
<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
|
||||
</P>
|
||||
<P>No information about this fix is written to <A HREF = "restart.html">binary restart
|
||||
files</A>. None of the <A HREF = "fix_modify.html">fix_modify</A> options
|
||||
are relevant to this fix. No quantities calculated by this fix can be
|
||||
output by the <A HREF = "thermo_style.html">thermo_style custom</A> command. No
|
||||
parameter of this fix can be used with the <I>start/stop</I> keywords of
|
||||
the <A HREF = "run.html">run</A> command. This fix is not invoked during <A HREF = "minimize.html">energy
|
||||
minimization</A>.
|
||||
are relevant to this fix. No global scalar or vector or per-atom
|
||||
quantities are stored by this fix for access by various <A HREF = "Section_howto.html#4_15">output
|
||||
commands</A>. No parameter of this fix can be
|
||||
used with the <I>start/stop</I> keywords of the <A HREF = "run.html">run</A> command.
|
||||
This fix is not invoked during <A HREF = "minimize.html">energy minimization</A>.
|
||||
</P>
|
||||
<P><B>Restrictions:</B> none
|
||||
</P>
|
||||
|
|
|
|||
|
|
@ -25,15 +25,15 @@ Perform constant NVE updates of position and velocity for atoms in the
|
|||
group each timestep. V is volume; E is energy. This creates a system
|
||||
trajectory consistent with the microcanonical ensemble.
|
||||
|
||||
[Restart, fix_modify, thermo output, run start/stop, minimize info:]
|
||||
[Restart, fix_modify, output, run start/stop, minimize info:]
|
||||
|
||||
No information about this fix is written to "binary restart
|
||||
files"_restart.html. None of the "fix_modify"_fix_modify.html options
|
||||
are relevant to this fix. No quantities calculated by this fix can be
|
||||
output by the "thermo_style custom"_thermo_style.html command. No
|
||||
parameter of this fix can be used with the {start/stop} keywords of
|
||||
the "run"_run.html command. This fix is not invoked during "energy
|
||||
minimization"_minimize.html.
|
||||
are relevant to this fix. No global scalar or vector or per-atom
|
||||
quantities are stored by this fix for access by various "output
|
||||
commands"_Section_howto.html#4_15. No parameter of this fix can be
|
||||
used with the {start/stop} keywords of the "run"_run.html command.
|
||||
This fix is not invoked during "energy minimization"_minimize.html.
|
||||
|
||||
[Restrictions:] none
|
||||
|
||||
|
|
|
|||
|
|
@ -29,15 +29,15 @@ angular velocity for aspherical or ellipsoidal particles in the group
|
|||
each timestep. V is volume; E is energy. This creates a system
|
||||
trajectory consistent with the microcanonical ensemble.
|
||||
</P>
|
||||
<P><B>Restart, fix_modify, thermo output, run start/stop, minimize info:</B>
|
||||
<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
|
||||
</P>
|
||||
<P>No information about this fix is written to <A HREF = "restart.html">binary restart
|
||||
files</A>. None of the <A HREF = "fix_modify.html">fix_modify</A> options
|
||||
are relevant to this fix. No quantities calculated by this fix can be
|
||||
output by the <A HREF = "thermo_style.html">thermo_style custom</A> command. No
|
||||
parameter of this fix can be used with the <I>start/stop</I> keywords of
|
||||
the <A HREF = "run.html">run</A> command. This fix is not invoked during <A HREF = "minimize.html">energy
|
||||
minimization</A>.
|
||||
are relevant to this fix. No global scalar or vector or per-atom
|
||||
quantities are stored by this fix for access by various <A HREF = "Section_howto.html#4_15">output
|
||||
commands</A>. No parameter of this fix can be
|
||||
used with the <I>start/stop</I> keywords of the <A HREF = "run.html">run</A> command.
|
||||
This fix is not invoked during <A HREF = "minimize.html">energy minimization</A>.
|
||||
</P>
|
||||
<P><B>Restrictions:</B>
|
||||
</P>
|
||||
|
|
|
|||
|
|
@ -26,15 +26,15 @@ angular velocity for aspherical or ellipsoidal particles in the group
|
|||
each timestep. V is volume; E is energy. This creates a system
|
||||
trajectory consistent with the microcanonical ensemble.
|
||||
|
||||
[Restart, fix_modify, thermo output, run start/stop, minimize info:]
|
||||
[Restart, fix_modify, output, run start/stop, minimize info:]
|
||||
|
||||
No information about this fix is written to "binary restart
|
||||
files"_restart.html. None of the "fix_modify"_fix_modify.html options
|
||||
are relevant to this fix. No quantities calculated by this fix can be
|
||||
output by the "thermo_style custom"_thermo_style.html command. No
|
||||
parameter of this fix can be used with the {start/stop} keywords of
|
||||
the "run"_run.html command. This fix is not invoked during "energy
|
||||
minimization"_minimize.html.
|
||||
are relevant to this fix. No global scalar or vector or per-atom
|
||||
quantities are stored by this fix for access by various "output
|
||||
commands"_Section_howto.html#4_15. No parameter of this fix can be
|
||||
used with the {start/stop} keywords of the "run"_run.html command.
|
||||
This fix is not invoked during "energy minimization"_minimize.html.
|
||||
|
||||
[Restrictions:]
|
||||
|
||||
|
|
|
|||
|
|
@ -29,15 +29,15 @@ angular velocity for particles with point dipole moments in the group
|
|||
each timestep. V is volume; E is energy. This creates a system
|
||||
trajectory consistent with the microcanonical ensemble.
|
||||
</P>
|
||||
<P><B>Restart, fix_modify, thermo output, run start/stop, minimize info:</B>
|
||||
<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
|
||||
</P>
|
||||
<P>No information about this fix is written to <A HREF = "restart.html">binary restart
|
||||
files</A>. None of the <A HREF = "fix_modify.html">fix_modify</A> options
|
||||
are relevant to this fix. No quantities calculated by this fix can be
|
||||
output by the <A HREF = "thermo_style.html">thermo_style custom</A> command. No
|
||||
parameter of this fix can be used with the <I>start/stop</I> keywords of
|
||||
the <A HREF = "run.html">run</A> command. This fix is not invoked during <A HREF = "minimize.html">energy
|
||||
minimization</A>.
|
||||
are relevant to this fix. No global scalar or vector or per-atom
|
||||
quantities are stored by this fix for access by various <A HREF = "Section_howto.html#4_15">output
|
||||
commands</A>. No parameter of this fix can be
|
||||
used with the <I>start/stop</I> keywords of the <A HREF = "run.html">run</A> command.
|
||||
This fix is not invoked during <A HREF = "minimize.html">energy minimization</A>.
|
||||
</P>
|
||||
<P><B>Restrictions:</B>
|
||||
</P>
|
||||
|
|
|
|||
|
|
@ -26,15 +26,15 @@ angular velocity for particles with point dipole moments in the group
|
|||
each timestep. V is volume; E is energy. This creates a system
|
||||
trajectory consistent with the microcanonical ensemble.
|
||||
|
||||
[Restart, fix_modify, thermo output, run start/stop, minimize info:]
|
||||
[Restart, fix_modify, output, run start/stop, minimize info:]
|
||||
|
||||
No information about this fix is written to "binary restart
|
||||
files"_restart.html. None of the "fix_modify"_fix_modify.html options
|
||||
are relevant to this fix. No quantities calculated by this fix can be
|
||||
output by the "thermo_style custom"_thermo_style.html command. No
|
||||
parameter of this fix can be used with the {start/stop} keywords of
|
||||
the "run"_run.html command. This fix is not invoked during "energy
|
||||
minimization"_minimize.html.
|
||||
are relevant to this fix. No global scalar or vector or per-atom
|
||||
quantities are stored by this fix for access by various "output
|
||||
commands"_Section_howto.html#4_15. No parameter of this fix can be
|
||||
used with the {start/stop} keywords of the "run"_run.html command.
|
||||
This fix is not invoked during "energy minimization"_minimize.html.
|
||||
|
||||
[Restrictions:]
|
||||
|
||||
|
|
|
|||
|
|
@ -30,15 +30,15 @@ rotational information as well as position and velocity, so this
|
|||
integrator updates translational and rotational degrees of freedom due
|
||||
to forces and torques.
|
||||
</P>
|
||||
<P><B>Restart, fix_modify, thermo output, run start/stop, minimize info:</B>
|
||||
<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
|
||||
</P>
|
||||
<P>No information about this fix is written to <A HREF = "restart.html">binary restart
|
||||
files</A>. None of the <A HREF = "fix_modify.html">fix_modify</A> options
|
||||
are relevant to this fix. No quantities calculated by this fix can be
|
||||
output by the <A HREF = "thermo_style.html">thermo_style custom</A> command. No
|
||||
parameter of this fix can be used with the <I>start/stop</I> keywords of
|
||||
the <A HREF = "run.html">run</A> command. This fix is not invoked during <A HREF = "minimize.html">energy
|
||||
minimization</A>.
|
||||
are relevant to this fix. No global scalar or vector or per-atom
|
||||
quantities are stored by this fix for access by various <A HREF = "Section_howto.html#4_15">output
|
||||
commands</A>. No parameter of this fix can be
|
||||
used with the <I>start/stop</I> keywords of the <A HREF = "run.html">run</A> command.
|
||||
This fix is not invoked during <A HREF = "minimize.html">energy minimization</A>.
|
||||
</P>
|
||||
<P><B>Restrictions:</B> none
|
||||
</P>
|
||||
|
|
|
|||
|
|
@ -27,15 +27,15 @@ rotational information as well as position and velocity, so this
|
|||
integrator updates translational and rotational degrees of freedom due
|
||||
to forces and torques.
|
||||
|
||||
[Restart, fix_modify, thermo output, run start/stop, minimize info:]
|
||||
[Restart, fix_modify, output, run start/stop, minimize info:]
|
||||
|
||||
No information about this fix is written to "binary restart
|
||||
files"_restart.html. None of the "fix_modify"_fix_modify.html options
|
||||
are relevant to this fix. No quantities calculated by this fix can be
|
||||
output by the "thermo_style custom"_thermo_style.html command. No
|
||||
parameter of this fix can be used with the {start/stop} keywords of
|
||||
the "run"_run.html command. This fix is not invoked during "energy
|
||||
minimization"_minimize.html.
|
||||
are relevant to this fix. No global scalar or vector or per-atom
|
||||
quantities are stored by this fix for access by various "output
|
||||
commands"_Section_howto.html#4_15. No parameter of this fix can be
|
||||
used with the {start/stop} keywords of the "run"_run.html command.
|
||||
This fix is not invoked during "energy minimization"_minimize.html.
|
||||
|
||||
[Restrictions:] none
|
||||
|
||||
|
|
|
|||
|
|
@ -50,15 +50,15 @@ exactly like the <A HREF = "fix_nve.html">fix nve</A> command. Since forces are
|
|||
unaltered, pressures computed by thermodynamic output will still be
|
||||
very large for overlapped configurations.
|
||||
</P>
|
||||
<P><B>Restart, fix_modify, thermo output, run start/stop, minimize info:</B>
|
||||
<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
|
||||
</P>
|
||||
<P>No information about this fix is written to <A HREF = "restart.html">binary restart
|
||||
files</A>. None of the <A HREF = "fix_modify.html">fix_modify</A> options
|
||||
are relevant to this fix. No quantities calculated by this fix can be
|
||||
output by the <A HREF = "thermo_style.html">thermo_style custom</A> command. No
|
||||
parameter of this fix can be used with the <I>start/stop</I> keywords of
|
||||
the <A HREF = "run.html">run</A> command. This fix is not invoked during <A HREF = "minimize.html">energy
|
||||
minimization</A>.
|
||||
are relevant to this fix. No global scalar or vector or per-atom
|
||||
quantities are stored by this fix for access by various <A HREF = "Section_howto.html#4_15">output
|
||||
commands</A>. No parameter of this fix can be
|
||||
used with the <I>start/stop</I> keywords of the <A HREF = "run.html">run</A> command.
|
||||
This fix is not invoked during <A HREF = "minimize.html">energy minimization</A>.
|
||||
</P>
|
||||
<P><B>Restrictions:</B> none
|
||||
</P>
|
||||
|
|
|
|||
|
|
@ -47,15 +47,15 @@ exactly like the "fix nve"_fix_nve.html command. Since forces are
|
|||
unaltered, pressures computed by thermodynamic output will still be
|
||||
very large for overlapped configurations.
|
||||
|
||||
[Restart, fix_modify, thermo output, run start/stop, minimize info:]
|
||||
[Restart, fix_modify, output, run start/stop, minimize info:]
|
||||
|
||||
No information about this fix is written to "binary restart
|
||||
files"_restart.html. None of the "fix_modify"_fix_modify.html options
|
||||
are relevant to this fix. No quantities calculated by this fix can be
|
||||
output by the "thermo_style custom"_thermo_style.html command. No
|
||||
parameter of this fix can be used with the {start/stop} keywords of
|
||||
the "run"_run.html command. This fix is not invoked during "energy
|
||||
minimization"_minimize.html.
|
||||
are relevant to this fix. No global scalar or vector or per-atom
|
||||
quantities are stored by this fix for access by various "output
|
||||
commands"_Section_howto.html#4_15. No parameter of this fix can be
|
||||
used with the {start/stop} keywords of the "run"_run.html command.
|
||||
This fix is not invoked during "energy minimization"_minimize.html.
|
||||
|
||||
[Restrictions:] none
|
||||
|
||||
|
|
|
|||
|
|
@ -38,15 +38,15 @@ unchanged, and can thus be printed by the <A HREF = "dump.html">dump</A> command
|
|||
queried with an equal-style <A HREF = "variable.html">variable</A> that uses the
|
||||
fcm() group function to compute the total force on the group of atoms.
|
||||
</P>
|
||||
<P><B>Restart, fix_modify, thermo output, run start/stop, minimize info:</B>
|
||||
<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
|
||||
</P>
|
||||
<P>No information about this fix is written to <A HREF = "restart.html">binary restart
|
||||
files</A>. None of the <A HREF = "fix_modify.html">fix_modify</A> options
|
||||
are relevant to this fix. No quantities calculated by this fix can be
|
||||
output by the <A HREF = "thermo_style.html">thermo_style custom</A> command. No
|
||||
parameter of this fix can be used with the <I>start/stop</I> keywords of
|
||||
the <A HREF = "run.html">run</A> command. This fix is not invoked during <A HREF = "minimize.html">energy
|
||||
minimization</A>.
|
||||
are relevant to this fix. No global scalar or vector or per-atom
|
||||
quantities are stored by this fix for access by various <A HREF = "Section_howto.html#4_15">output
|
||||
commands</A>. No parameter of this fix can be
|
||||
used with the <I>start/stop</I> keywords of the <A HREF = "run.html">run</A> command.
|
||||
This fix is not invoked during <A HREF = "minimize.html">energy minimization</A>.
|
||||
</P>
|
||||
<P><B>Restrictions:</B> none
|
||||
</P>
|
||||
|
|
|
|||
|
|
@ -35,15 +35,15 @@ unchanged, and can thus be printed by the "dump"_dump.html command or
|
|||
queried with an equal-style "variable"_variable.html that uses the
|
||||
fcm() group function to compute the total force on the group of atoms.
|
||||
|
||||
[Restart, fix_modify, thermo output, run start/stop, minimize info:]
|
||||
[Restart, fix_modify, output, run start/stop, minimize info:]
|
||||
|
||||
No information about this fix is written to "binary restart
|
||||
files"_restart.html. None of the "fix_modify"_fix_modify.html options
|
||||
are relevant to this fix. No quantities calculated by this fix can be
|
||||
output by the "thermo_style custom"_thermo_style.html command. No
|
||||
parameter of this fix can be used with the {start/stop} keywords of
|
||||
the "run"_run.html command. This fix is not invoked during "energy
|
||||
minimization"_minimize.html.
|
||||
are relevant to this fix. No global scalar or vector or per-atom
|
||||
quantities are stored by this fix for access by various "output
|
||||
commands"_Section_howto.html#4_15. No parameter of this fix can be
|
||||
used with the {start/stop} keywords of the "run"_run.html command.
|
||||
This fix is not invoked during "energy minimization"_minimize.html.
|
||||
|
||||
[Restrictions:] none
|
||||
|
||||
|
|
|
|||
|
|
@ -81,7 +81,7 @@ custom</A> command using the appropriate compute-ID.
|
|||
It also means that changing attributes of <I>thermo_temp</I> will have no
|
||||
effect on this fix.
|
||||
</P>
|
||||
<P><B>Restart, fix_modify, thermo output, run start/stop, minimize info:</B>
|
||||
<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
|
||||
</P>
|
||||
<P>This fix writes the state of the Nose/Hoover thermostat to <A HREF = "restart.html">binary
|
||||
restart files</A>. See the <A HREF = "read_restart.html">read_restart</A>
|
||||
|
|
|
|||
|
|
@ -72,7 +72,7 @@ custom"_thermo_style.html command using the appropriate compute-ID.
|
|||
It also means that changing attributes of {thermo_temp} will have no
|
||||
effect on this fix.
|
||||
|
||||
[Restart, fix_modify, thermo output, run start/stop, minimize info:]
|
||||
[Restart, fix_modify, output, run start/stop, minimize info:]
|
||||
|
||||
This fix writes the state of the Nose/Hoover thermostat to "binary
|
||||
restart files"_restart.html. See the "read_restart"_read_restart.html
|
||||
|
|
|
|||
|
|
@ -82,7 +82,7 @@ custom</A> command using the appropriate compute-ID.
|
|||
It also means that changing attributes of <I>thermo_temp</I> will have no
|
||||
effect on this fix.
|
||||
</P>
|
||||
<P><B>Restart, fix_modify, thermo output, run start/stop, minimize info:</B>
|
||||
<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
|
||||
</P>
|
||||
<P>This fix writes the state of the Nose/Hoover thermostat to <A HREF = "restart.html">binary
|
||||
restart files</A>. See the <A HREF = "read_restart.html">read_restart</A>
|
||||
|
|
|
|||
|
|
@ -73,7 +73,7 @@ custom"_thermo_style.html command using the appropriate compute-ID.
|
|||
It also means that changing attributes of {thermo_temp} will have no
|
||||
effect on this fix.
|
||||
|
||||
[Restart, fix_modify, thermo output, run start/stop, minimize info:]
|
||||
[Restart, fix_modify, output, run start/stop, minimize info:]
|
||||
|
||||
This fix writes the state of the Nose/Hoover thermostat to "binary
|
||||
restart files"_restart.html. See the "read_restart"_read_restart.html
|
||||
|
|
|
|||
|
|
@ -108,7 +108,7 @@ custom</A> command using the appropriate compute-ID.
|
|||
It also means that changing attributes of <I>thermo_temp</I> will have no
|
||||
effect on this fix.
|
||||
</P>
|
||||
<P><B>Restart, fix_modify, thermo output, run start/stop, minimize info:</B>
|
||||
<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
|
||||
</P>
|
||||
<P>This fix writes the state of the Nose/Hoover thermostat to <A HREF = "restart.html">binary
|
||||
restart files</A>. See the <A HREF = "read_restart.html">read_restart</A>
|
||||
|
|
|
|||
|
|
@ -99,7 +99,7 @@ custom"_thermo_style.html command using the appropriate compute-ID.
|
|||
It also means that changing attributes of {thermo_temp} will have no
|
||||
effect on this fix.
|
||||
|
||||
[Restart, fix_modify, thermo output, run start/stop, minimize info:]
|
||||
[Restart, fix_modify, output, run start/stop, minimize info:]
|
||||
|
||||
This fix writes the state of the Nose/Hoover thermostat to "binary
|
||||
restart files"_restart.html. See the "read_restart"_read_restart.html
|
||||
|
|
|
|||
|
|
@ -116,7 +116,7 @@ symmetry, so the list must include one from each pair of
|
|||
equal-and-opposite neighbors. A pair of orientation files for a
|
||||
Sigma=5 tilt boundary are show below.
|
||||
</P>
|
||||
<P><B>Restart, fix_modify, thermo output, run start/stop, minimize info:</B>
|
||||
<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
|
||||
</P>
|
||||
<P>No information about this fix is written to <A HREF = "restart.html">binary restart
|
||||
files</A>.
|
||||
|
|
|
|||
|
|
@ -113,7 +113,7 @@ symmetry, so the list must include one from each pair of
|
|||
equal-and-opposite neighbors. A pair of orientation files for a
|
||||
Sigma=5 tilt boundary are show below.
|
||||
|
||||
[Restart, fix_modify, thermo output, run start/stop, minimize info:]
|
||||
[Restart, fix_modify, output, run start/stop, minimize info:]
|
||||
|
||||
No information about this fix is written to "binary restart
|
||||
files"_restart.html.
|
||||
|
|
|
|||
|
|
@ -32,14 +32,14 @@ by subtracting out components of force perpendicular to the plane.
|
|||
<P>If the initial velocity of the atom is 0.0 (or in the plane), then it
|
||||
should continue to move in the plane thereafter.
|
||||
</P>
|
||||
<P><B>Restart, fix_modify, thermo output, run start/stop, minimize info:</B>
|
||||
<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
|
||||
</P>
|
||||
<P>No information about this fix is written to <A HREF = "restart.html">binary restart
|
||||
files</A>. None of the <A HREF = "fix_modify.html">fix_modify</A> options
|
||||
are relevant to this fix. No quantities calculated by this fix can be
|
||||
output by the <A HREF = "thermo_style.html">thermo_style custom</A> command. No
|
||||
parameter of this fix can be used with the <I>start/stop</I> keywords of
|
||||
the <A HREF = "run.html">run</A> command.
|
||||
are relevant to this fix. No global scalar or vector or per-atom
|
||||
quantities are stored by this fix for access by various <A HREF = "Section_howto.html#4_15">output
|
||||
commands</A>. No parameter of this fix can be
|
||||
used with the <I>start/stop</I> keywords of the <A HREF = "run.html">run</A> command.
|
||||
</P>
|
||||
<P>The forces due to this fix are imposed during an energy minimization,
|
||||
invoked by the <A HREF = "minimize.html">minimize</A> command.
|
||||
|
|
|
|||
|
|
@ -29,14 +29,14 @@ by subtracting out components of force perpendicular to the plane.
|
|||
If the initial velocity of the atom is 0.0 (or in the plane), then it
|
||||
should continue to move in the plane thereafter.
|
||||
|
||||
[Restart, fix_modify, thermo output, run start/stop, minimize info:]
|
||||
[Restart, fix_modify, output, run start/stop, minimize info:]
|
||||
|
||||
No information about this fix is written to "binary restart
|
||||
files"_restart.html. None of the "fix_modify"_fix_modify.html options
|
||||
are relevant to this fix. No quantities calculated by this fix can be
|
||||
output by the "thermo_style custom"_thermo_style.html command. No
|
||||
parameter of this fix can be used with the {start/stop} keywords of
|
||||
the "run"_run.html command.
|
||||
are relevant to this fix. No global scalar or vector or per-atom
|
||||
quantities are stored by this fix for access by various "output
|
||||
commands"_Section_howto.html#4_15. No parameter of this fix can be
|
||||
used with the {start/stop} keywords of the "run"_run.html command.
|
||||
|
||||
The forces due to this fix are imposed during an energy minimization,
|
||||
invoked by the "minimize"_minimize.html command.
|
||||
|
|
|
|||
|
|
@ -110,15 +110,15 @@ body contribution to the pressure virial is also accounted for. The
|
|||
latter is only correct if forces within the bodies have been turned
|
||||
off, and there is only a single fix poems defined.
|
||||
</P>
|
||||
<P><B>Restart, fix_modify, thermo output, run start/stop, minimize info:</B>
|
||||
<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
|
||||
</P>
|
||||
<P>No information about this fix is written to <A HREF = "restart.html">binary restart
|
||||
files</A>. None of the <A HREF = "fix_modify.html">fix_modify</A> options
|
||||
are relevant to this fix. No quantities calculated by this fix can be
|
||||
output by the <A HREF = "thermo_style.html">thermo_style custom</A> command. No
|
||||
parameter of this fix can be used with the <I>start/stop</I> keywords of
|
||||
the <A HREF = "run.html">run</A> command. This fix is not invoked during <A HREF = "minimize.html">energy
|
||||
minimization</A>.
|
||||
are relevant to this fix. No global scalar or vector or per-atom
|
||||
quantities are stored by this fix for access by various <A HREF = "Section_howto.html#4_15">output
|
||||
commands</A>. No parameter of this fix can be
|
||||
used with the <I>start/stop</I> keywords of the <A HREF = "run.html">run</A> command.
|
||||
This fix is not invoked during <A HREF = "minimize.html">energy minimization</A>.
|
||||
</P>
|
||||
<P><B>Restrictions:</B>
|
||||
</P>
|
||||
|
|
|
|||
|
|
@ -103,15 +103,15 @@ body contribution to the pressure virial is also accounted for. The
|
|||
latter is only correct if forces within the bodies have been turned
|
||||
off, and there is only a single fix poems defined.
|
||||
|
||||
[Restart, fix_modify, thermo output, run start/stop, minimize info:]
|
||||
[Restart, fix_modify, output, run start/stop, minimize info:]
|
||||
|
||||
No information about this fix is written to "binary restart
|
||||
files"_restart.html. None of the "fix_modify"_fix_modify.html options
|
||||
are relevant to this fix. No quantities calculated by this fix can be
|
||||
output by the "thermo_style custom"_thermo_style.html command. No
|
||||
parameter of this fix can be used with the {start/stop} keywords of
|
||||
the "run"_run.html command. This fix is not invoked during "energy
|
||||
minimization"_minimize.html.
|
||||
are relevant to this fix. No global scalar or vector or per-atom
|
||||
quantities are stored by this fix for access by various "output
|
||||
commands"_Section_howto.html#4_15. No parameter of this fix can be
|
||||
used with the {start/stop} keywords of the "run"_run.html command.
|
||||
This fix is not invoked during "energy minimization"_minimize.html.
|
||||
|
||||
[Restrictions:]
|
||||
|
||||
|
|
|
|||
|
|
@ -101,7 +101,7 @@ completing all insertions, it prints a warning.
|
|||
or y direction (2d). This enables pouring particles from a
|
||||
successively higher height over time.
|
||||
</P>
|
||||
<P><B>Restart, fix_modify, thermo output, run start/stop, minimize info:</B>
|
||||
<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
|
||||
</P>
|
||||
<P>No information about this fix is written to <A HREF = "restart.html">binary restart
|
||||
files</A>. This means you must be careful when restarting a
|
||||
|
|
@ -119,11 +119,11 @@ produce the same behavior if you adjust the fix pour parameters
|
|||
appropriately.
|
||||
</P>
|
||||
<P>None of the <A HREF = "fix_modify.html">fix_modify</A> options are relevant to this
|
||||
fix. No quantities calculated by this fix can be output by the
|
||||
<A HREF = "thermo_style.html">thermo_style custom</A> command. No parameter of this
|
||||
fix can be used with the <I>start/stop</I> keywords of the <A HREF = "run.html">run</A>
|
||||
command. This fix is not invoked during <A HREF = "minimize.html">energy
|
||||
minimization</A>.
|
||||
fix. No global scalar or vector or per-atom quantities are stored by
|
||||
this fix for access by various <A HREF = "Section_howto.html#4_15">output
|
||||
commands</A>. No parameter of this fix can be
|
||||
used with the <I>start/stop</I> keywords of the <A HREF = "run.html">run</A> command.
|
||||
This fix is not invoked during <A HREF = "minimize.html">energy minimization</A>.
|
||||
</P>
|
||||
<P><B>Restrictions:</B>
|
||||
</P>
|
||||
|
|
|
|||
|
|
@ -90,7 +90,7 @@ The {rate} option moves the insertion volume in the z direction (3d)
|
|||
or y direction (2d). This enables pouring particles from a
|
||||
successively higher height over time.
|
||||
|
||||
[Restart, fix_modify, thermo output, run start/stop, minimize info:]
|
||||
[Restart, fix_modify, output, run start/stop, minimize info:]
|
||||
|
||||
No information about this fix is written to "binary restart
|
||||
files"_restart.html. This means you must be careful when restarting a
|
||||
|
|
@ -108,11 +108,11 @@ produce the same behavior if you adjust the fix pour parameters
|
|||
appropriately.
|
||||
|
||||
None of the "fix_modify"_fix_modify.html options are relevant to this
|
||||
fix. No quantities calculated by this fix can be output by the
|
||||
"thermo_style custom"_thermo_style.html command. No parameter of this
|
||||
fix can be used with the {start/stop} keywords of the "run"_run.html
|
||||
command. This fix is not invoked during "energy
|
||||
minimization"_minimize.html.
|
||||
fix. No global scalar or vector or per-atom quantities are stored by
|
||||
this fix for access by various "output
|
||||
commands"_Section_howto.html#4_15. No parameter of this fix can be
|
||||
used with the {start/stop} keywords of the "run"_run.html command.
|
||||
This fix is not invoked during "energy minimization"_minimize.html.
|
||||
|
||||
[Restrictions:]
|
||||
|
||||
|
|
|
|||
|
|
@ -42,15 +42,15 @@ fix print line is output. Equal-style variables can calculate complex
|
|||
formulas involving atom and group properties, mathematical operations,
|
||||
other variables, etc.
|
||||
</P>
|
||||
<P><B>Restart, fix_modify, thermo output, run start/stop, minimize info:</B>
|
||||
<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
|
||||
</P>
|
||||
<P>No information about this fix is written to <A HREF = "restart.html">binary restart
|
||||
files</A>. None of the <A HREF = "fix_modify.html">fix_modify</A> options
|
||||
are relevant to this fix. No quantities calculated by this fix can be
|
||||
output by the <A HREF = "thermo_style.html">thermo_style custom</A> command. No
|
||||
parameter of this fix can be used with the <I>start/stop</I> keywords of
|
||||
the <A HREF = "run.html">run</A> command. This fix is not invoked during <A HREF = "minimize.html">energy
|
||||
minimization</A>.
|
||||
are relevant to this fix. No global scalar or vector or per-atom
|
||||
quantities are stored by this fix for access by various <A HREF = "Section_howto.html#4_15">output
|
||||
commands</A>. No parameter of this fix can be
|
||||
used with the <I>start/stop</I> keywords of the <A HREF = "run.html">run</A> command.
|
||||
This fix is not invoked during <A HREF = "minimize.html">energy minimization</A>.
|
||||
</P>
|
||||
<P><B>Restrictions:</B>
|
||||
</P>
|
||||
|
|
|
|||
|
|
@ -39,15 +39,15 @@ fix print line is output. Equal-style variables can calculate complex
|
|||
formulas involving atom and group properties, mathematical operations,
|
||||
other variables, etc.
|
||||
|
||||
[Restart, fix_modify, thermo output, run start/stop, minimize info:]
|
||||
[Restart, fix_modify, output, run start/stop, minimize info:]
|
||||
|
||||
No information about this fix is written to "binary restart
|
||||
files"_restart.html. None of the "fix_modify"_fix_modify.html options
|
||||
are relevant to this fix. No quantities calculated by this fix can be
|
||||
output by the "thermo_style custom"_thermo_style.html command. No
|
||||
parameter of this fix can be used with the {start/stop} keywords of
|
||||
the "run"_run.html command. This fix is not invoked during "energy
|
||||
minimization"_minimize.html.
|
||||
are relevant to this fix. No global scalar or vector or per-atom
|
||||
quantities are stored by this fix for access by various "output
|
||||
commands"_Section_howto.html#4_15. No parameter of this fix can be
|
||||
used with the {start/stop} keywords of the "run"_run.html command.
|
||||
This fix is not invoked during "energy minimization"_minimize.html.
|
||||
|
||||
[Restrictions:]
|
||||
|
||||
|
|
|
|||
|
|
@ -48,15 +48,15 @@ factor is set by the <A HREF = "special_bonds.html">special_bonds</A> command.
|
|||
<P>The RDF statistics for each timestep are written to the specified
|
||||
file, as are the RDF values averaged over all timesteps.
|
||||
</P>
|
||||
<P><B>Restart, fix_modify, thermo output, run start/stop, minimize info:</B>
|
||||
<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
|
||||
</P>
|
||||
<P>No information about this fix is written to <A HREF = "restart.html">binary restart
|
||||
files</A>. None of the <A HREF = "fix_modify.html">fix_modify</A> options
|
||||
are relevant to this fix. No quantities calculated by this fix can be
|
||||
output by the <A HREF = "thermo_style.html">thermo_style custom</A> command. No
|
||||
parameter of this fix can be used with the <I>start/stop</I> keywords of
|
||||
the <A HREF = "run.html">run</A> command. This fix is not invoked during <A HREF = "minimize.html">energy
|
||||
minimization</A>.
|
||||
are relevant to this fix. No global scalar or vector or per-atom
|
||||
quantities are stored by this fix for access by various <A HREF = "Section_howto.html#4_15">output
|
||||
commands</A>. No parameter of this fix can be
|
||||
used with the <I>start/stop</I> keywords of the <A HREF = "run.html">run</A> command.
|
||||
This fix is not invoked during <A HREF = "minimize.html">energy minimization</A>.
|
||||
</P>
|
||||
<P><B>Restrictions:</B>
|
||||
</P>
|
||||
|
|
|
|||
|
|
@ -45,15 +45,15 @@ factor is set by the "special_bonds"_special_bonds.html command.
|
|||
The RDF statistics for each timestep are written to the specified
|
||||
file, as are the RDF values averaged over all timesteps.
|
||||
|
||||
[Restart, fix_modify, thermo output, run start/stop, minimize info:]
|
||||
[Restart, fix_modify, output, run start/stop, minimize info:]
|
||||
|
||||
No information about this fix is written to "binary restart
|
||||
files"_restart.html. None of the "fix_modify"_fix_modify.html options
|
||||
are relevant to this fix. No quantities calculated by this fix can be
|
||||
output by the "thermo_style custom"_thermo_style.html command. No
|
||||
parameter of this fix can be used with the {start/stop} keywords of
|
||||
the "run"_run.html command. This fix is not invoked during "energy
|
||||
minimization"_minimize.html.
|
||||
are relevant to this fix. No global scalar or vector or per-atom
|
||||
quantities are stored by this fix for access by various "output
|
||||
commands"_Section_howto.html#4_15. No parameter of this fix can be
|
||||
used with the {start/stop} keywords of the "run"_run.html command.
|
||||
This fix is not invoked during "energy minimization"_minimize.html.
|
||||
|
||||
[Restrictions:]
|
||||
|
||||
|
|
|
|||
|
|
@ -95,15 +95,15 @@ the solvent would be cooled to compensate. A better solution for this
|
|||
simulation scenario is to use the <A HREF = "fix_spring.html">fix spring</A> command
|
||||
to tether the molecule in place.
|
||||
</P>
|
||||
<P><B>Restart, fix_modify, thermo output, run start/stop, minimize info:</B>
|
||||
<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
|
||||
</P>
|
||||
<P>No information about this fix is written to <A HREF = "restart.html">binary restart
|
||||
files</A>. None of the <A HREF = "fix_modify.html">fix_modify</A> options
|
||||
are relevant to this fix. No quantities calculated by this fix can be
|
||||
output by the <A HREF = "thermo_style.html">thermo_style custom</A> command. No
|
||||
parameter of this fix can be used with the <I>start/stop</I> keywords of
|
||||
the <A HREF = "run.html">run</A> command. This fix is not invoked during <A HREF = "minimize.html">energy
|
||||
minimization</A>.
|
||||
are relevant to this fix. No global scalar or vector or per-atom
|
||||
quantities are stored by this fix for access by various <A HREF = "Section_howto.html#4_15">output
|
||||
commands</A>. No parameter of this fix can be
|
||||
used with the <I>start/stop</I> keywords of the <A HREF = "run.html">run</A> command.
|
||||
This fix is not invoked during <A HREF = "minimize.html">energy minimization</A>.
|
||||
</P>
|
||||
<P><B>Restrictions:</B>
|
||||
</P>
|
||||
|
|
|
|||
|
|
@ -87,15 +87,15 @@ the solvent would be cooled to compensate. A better solution for this
|
|||
simulation scenario is to use the "fix spring"_fix_spring.html command
|
||||
to tether the molecule in place.
|
||||
|
||||
[Restart, fix_modify, thermo output, run start/stop, minimize info:]
|
||||
[Restart, fix_modify, output, run start/stop, minimize info:]
|
||||
|
||||
No information about this fix is written to "binary restart
|
||||
files"_restart.html. None of the "fix_modify"_fix_modify.html options
|
||||
are relevant to this fix. No quantities calculated by this fix can be
|
||||
output by the "thermo_style custom"_thermo_style.html command. No
|
||||
parameter of this fix can be used with the {start/stop} keywords of
|
||||
the "run"_run.html command. This fix is not invoked during "energy
|
||||
minimization"_minimize.html.
|
||||
are relevant to this fix. No global scalar or vector or per-atom
|
||||
quantities are stored by this fix for access by various "output
|
||||
commands"_Section_howto.html#4_15. No parameter of this fix can be
|
||||
used with the {start/stop} keywords of the "run"_run.html command.
|
||||
This fix is not invoked during "energy minimization"_minimize.html.
|
||||
|
||||
[Restrictions:]
|
||||
|
||||
|
|
|
|||
|
|
@ -98,15 +98,15 @@ displacement for such atoms, and the image flag values written to a
|
|||
<A HREF = "dump.html">dump file</A> will be different than they would be if the
|
||||
atoms were not in a rigid body.
|
||||
</P>
|
||||
<P><B>Restart, fix_modify, thermo output, run start/stop, minimize info:</B>
|
||||
<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
|
||||
</P>
|
||||
<P>No information about this fix is written to <A HREF = "restart.html">binary restart
|
||||
files</A>. None of the <A HREF = "fix_modify.html">fix_modify</A> options
|
||||
are relevant to this fix. No quantities calculated by this fix can be
|
||||
output by the <A HREF = "thermo_style.html">thermo_style custom</A> command. No
|
||||
parameter of this fix can be used with the <I>start/stop</I> keywords of
|
||||
the <A HREF = "run.html">run</A> command. This fix is not invoked during <A HREF = "minimize.html">energy
|
||||
minimization</A>.
|
||||
are relevant to this fix. No global scalar or vector or per-atom
|
||||
quantities are stored by this fix for access by various <A HREF = "Section_howto.html#4_15">output
|
||||
commands</A>. No parameter of this fix can be
|
||||
used with the <I>start/stop</I> keywords of the <A HREF = "run.html">run</A> command.
|
||||
This fix is not invoked during <A HREF = "minimize.html">energy minimization</A>.
|
||||
</P>
|
||||
<P><B>Restrictions:</B>
|
||||
</P>
|
||||
|
|
|
|||
|
|
@ -91,15 +91,15 @@ displacement for such atoms, and the image flag values written to a
|
|||
"dump file"_dump.html will be different than they would be if the
|
||||
atoms were not in a rigid body.
|
||||
|
||||
[Restart, fix_modify, thermo output, run start/stop, minimize info:]
|
||||
[Restart, fix_modify, output, run start/stop, minimize info:]
|
||||
|
||||
No information about this fix is written to "binary restart
|
||||
files"_restart.html. None of the "fix_modify"_fix_modify.html options
|
||||
are relevant to this fix. No quantities calculated by this fix can be
|
||||
output by the "thermo_style custom"_thermo_style.html command. No
|
||||
parameter of this fix can be used with the {start/stop} keywords of
|
||||
the "run"_run.html command. This fix is not invoked during "energy
|
||||
minimization"_minimize.html.
|
||||
are relevant to this fix. No global scalar or vector or per-atom
|
||||
quantities are stored by this fix for access by various "output
|
||||
commands"_Section_howto.html#4_15. No parameter of this fix can be
|
||||
used with the {start/stop} keywords of the "run"_run.html command.
|
||||
This fix is not invoked during "energy minimization"_minimize.html.
|
||||
|
||||
[Restrictions:]
|
||||
|
||||
|
|
|
|||
|
|
@ -35,7 +35,7 @@ force, assuming their initial velocity zero.
|
|||
<P>Any of the fx,fy,fz values can be specified as NULL which means do not
|
||||
alter the force component in that dimension.
|
||||
</P>
|
||||
<P><B>Restart, fix_modify, thermo output, run start/stop, minimize info:</B>
|
||||
<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
|
||||
</P>
|
||||
<P>No information about this fix is written to <A HREF = "restart.html">binary restart
|
||||
files</A>. None of the <A HREF = "fix_modify.html">fix_modify</A> options
|
||||
|
|
|
|||
|
|
@ -32,7 +32,7 @@ force, assuming their initial velocity zero.
|
|||
Any of the fx,fy,fz values can be specified as NULL which means do not
|
||||
alter the force component in that dimension.
|
||||
|
||||
[Restart, fix_modify, thermo output, run start/stop, minimize info:]
|
||||
[Restart, fix_modify, output, run start/stop, minimize info:]
|
||||
|
||||
No information about this fix is written to "binary restart
|
||||
files"_restart.html. None of the "fix_modify"_fix_modify.html options
|
||||
|
|
|
|||
|
|
@ -85,15 +85,15 @@ in the bond are in the group specified with the SHAKE fix.
|
|||
for in temperature and pressure computations. Similarly, the SHAKE
|
||||
contribution to the pressure virial is also accounted for.
|
||||
</P>
|
||||
<P><B>Restart, fix_modify, thermo output, run start/stop, minimize info:</B>
|
||||
<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
|
||||
</P>
|
||||
<P>No information about this fix is written to <A HREF = "restart.html">binary restart
|
||||
files</A>. None of the <A HREF = "fix_modify.html">fix_modify</A> options
|
||||
are relevant to this fix. No quantities calculated by this fix can be
|
||||
output by the <A HREF = "thermo_style.html">thermo_style custom</A> command. No
|
||||
parameter of this fix can be used with the <I>start/stop</I> keywords of
|
||||
the <A HREF = "run.html">run</A> command. This fix is not invoked during <A HREF = "minimize.html">energy
|
||||
minimization</A>.
|
||||
are relevant to this fix. No global scalar or vector or per-atom
|
||||
quantities are stored by this fix for access by various <A HREF = "Section_howto.html#4_15">output
|
||||
commands</A>. No parameter of this fix can be
|
||||
used with the <I>start/stop</I> keywords of the <A HREF = "run.html">run</A> command.
|
||||
This fix is not invoked during <A HREF = "minimize.html">energy minimization</A>.
|
||||
</P>
|
||||
<P><B>Restrictions:</B>
|
||||
</P>
|
||||
|
|
|
|||
|
|
@ -74,15 +74,15 @@ The degrees-of-freedom removed by SHAKE bonds and angles are accounted
|
|||
for in temperature and pressure computations. Similarly, the SHAKE
|
||||
contribution to the pressure virial is also accounted for.
|
||||
|
||||
[Restart, fix_modify, thermo output, run start/stop, minimize info:]
|
||||
[Restart, fix_modify, output, run start/stop, minimize info:]
|
||||
|
||||
No information about this fix is written to "binary restart
|
||||
files"_restart.html. None of the "fix_modify"_fix_modify.html options
|
||||
are relevant to this fix. No quantities calculated by this fix can be
|
||||
output by the "thermo_style custom"_thermo_style.html command. No
|
||||
parameter of this fix can be used with the {start/stop} keywords of
|
||||
the "run"_run.html command. This fix is not invoked during "energy
|
||||
minimization"_minimize.html.
|
||||
are relevant to this fix. No global scalar or vector or per-atom
|
||||
quantities are stored by this fix for access by various "output
|
||||
commands"_Section_howto.html#4_15. No parameter of this fix can be
|
||||
used with the {start/stop} keywords of the "run"_run.html command.
|
||||
This fix is not invoked during "energy minimization"_minimize.html.
|
||||
|
||||
[Restrictions:]
|
||||
|
||||
|
|
|
|||
|
|
@ -91,15 +91,15 @@ below the z = 0 center plane of the pore (umbrella sampling). The
|
|||
last example holds the ion a distance 5 away from the pore axis
|
||||
(assuming the center-of-mass of the pore in x,y is the pore axis).
|
||||
</P>
|
||||
<P><B>Restart, fix_modify, thermo output, run start/stop, minimize info:</B>
|
||||
<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
|
||||
</P>
|
||||
<P>No information about this fix is written to <A HREF = "restart.html">binary restart
|
||||
files</A>. None of the <A HREF = "fix_modify.html">fix_modify</A> options
|
||||
are relevant to this fix. No quantities calculated by this fix can be
|
||||
output by the <A HREF = "thermo_style.html">thermo_style custom</A> command. No
|
||||
parameter of this fix can be used with the <I>start/stop</I> keywords of
|
||||
the <A HREF = "run.html">run</A> command. This fix is not invoked during <A HREF = "minimize.html">energy
|
||||
minimization</A>.
|
||||
are relevant to this fix. No global scalar or vector or per-atom
|
||||
quantities are stored by this fix for access by various <A HREF = "Section_howto.html#4_15">output
|
||||
commands</A>. No parameter of this fix can be
|
||||
used with the <I>start/stop</I> keywords of the <A HREF = "run.html">run</A> command.
|
||||
This fix is not invoked during <A HREF = "minimize.html">energy minimization</A>.
|
||||
</P>
|
||||
<P><B>Restrictions:</B> none
|
||||
</P>
|
||||
|
|
|
|||
|
|
@ -84,15 +84,15 @@ below the z = 0 center plane of the pore (umbrella sampling). The
|
|||
last example holds the ion a distance 5 away from the pore axis
|
||||
(assuming the center-of-mass of the pore in x,y is the pore axis).
|
||||
|
||||
[Restart, fix_modify, thermo output, run start/stop, minimize info:]
|
||||
[Restart, fix_modify, output, run start/stop, minimize info:]
|
||||
|
||||
No information about this fix is written to "binary restart
|
||||
files"_restart.html. None of the "fix_modify"_fix_modify.html options
|
||||
are relevant to this fix. No quantities calculated by this fix can be
|
||||
output by the "thermo_style custom"_thermo_style.html command. No
|
||||
parameter of this fix can be used with the {start/stop} keywords of
|
||||
the "run"_run.html command. This fix is not invoked during "energy
|
||||
minimization"_minimize.html.
|
||||
are relevant to this fix. No global scalar or vector or per-atom
|
||||
quantities are stored by this fix for access by various "output
|
||||
commands"_Section_howto.html#4_15. No parameter of this fix can be
|
||||
used with the {start/stop} keywords of the "run"_run.html command.
|
||||
This fix is not invoked during "energy minimization"_minimize.html.
|
||||
|
||||
[Restrictions:] none
|
||||
|
||||
|
|
|
|||
|
|
@ -50,15 +50,15 @@ for the aggregate force on the group of atoms, not a per-atom force.
|
|||
<P>If RG0 is specified as NULL, then the RG of the group is computed at
|
||||
the time the fix is specified, and that value is used as the target.
|
||||
</P>
|
||||
<P><B>Restart, fix_modify, thermo output, run start/stop, minimize info:</B>
|
||||
<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
|
||||
</P>
|
||||
<P>No information about this fix is written to <A HREF = "restart.html">binary restart
|
||||
files</A>. None of the <A HREF = "fix_modify.html">fix_modify</A> options
|
||||
are relevant to this fix. No quantities calculated by this fix can be
|
||||
output by the <A HREF = "thermo_style.html">thermo_style custom</A> command. No
|
||||
parameter of this fix can be used with the <I>start/stop</I> keywords of
|
||||
the <A HREF = "run.html">run</A> command. This fix is not invoked during <A HREF = "minimize.html">energy
|
||||
minimization</A>.
|
||||
are relevant to this fix. No global scalar or vector or per-atom
|
||||
quantities are stored by this fix for access by various <A HREF = "Section_howto.html#4_15">output
|
||||
commands</A>. No parameter of this fix can be
|
||||
used with the <I>start/stop</I> keywords of the <A HREF = "run.html">run</A> command.
|
||||
This fix is not invoked during <A HREF = "minimize.html">energy minimization</A>.
|
||||
</P>
|
||||
<P><B>Restrictions:</B> none
|
||||
</P>
|
||||
|
|
|
|||
|
|
@ -46,15 +46,15 @@ for the aggregate force on the group of atoms, not a per-atom force.
|
|||
If RG0 is specified as NULL, then the RG of the group is computed at
|
||||
the time the fix is specified, and that value is used as the target.
|
||||
|
||||
[Restart, fix_modify, thermo output, run start/stop, minimize info:]
|
||||
[Restart, fix_modify, output, run start/stop, minimize info:]
|
||||
|
||||
No information about this fix is written to "binary restart
|
||||
files"_restart.html. None of the "fix_modify"_fix_modify.html options
|
||||
are relevant to this fix. No quantities calculated by this fix can be
|
||||
output by the "thermo_style custom"_thermo_style.html command. No
|
||||
parameter of this fix can be used with the {start/stop} keywords of
|
||||
the "run"_run.html command. This fix is not invoked during "energy
|
||||
minimization"_minimize.html.
|
||||
are relevant to this fix. No global scalar or vector or per-atom
|
||||
quantities are stored by this fix for access by various "output
|
||||
commands"_Section_howto.html#4_15. No parameter of this fix can be
|
||||
used with the {start/stop} keywords of the "run"_run.html command.
|
||||
This fix is not invoked during "energy minimization"_minimize.html.
|
||||
|
||||
[Restrictions:] none
|
||||
|
||||
|
|
|
|||
|
|
@ -32,7 +32,7 @@ the magnitude of the force on each atom is -Kr, where r is the
|
|||
displacement of the atom from its current position to its initial
|
||||
position.
|
||||
</P>
|
||||
<P><B>Restart, fix_modify, thermo output, run start/stop, minimize info:</B>
|
||||
<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
|
||||
</P>
|
||||
<P>This fix writes the original coordinates of tethered atoms to <A HREF = "restart.html">binary
|
||||
restart files</A>, so that the spring effect will be the
|
||||
|
|
@ -42,11 +42,11 @@ a fix in an input script that reads a restart file, so that the
|
|||
operation of the fix continues in an uninterrupted fashion.
|
||||
</P>
|
||||
<P>None of the <A HREF = "fix_modify.html">fix_modify</A> options are relevant to this
|
||||
fix. No quantities calculated by this fix can be output by the
|
||||
<A HREF = "thermo_style.html">thermo_style custom</A> command. No parameter of this
|
||||
fix can be used with the <I>start/stop</I> keywords of the <A HREF = "run.html">run</A>
|
||||
command. This fix is not invoked during <A HREF = "minimize.html">energy
|
||||
minimization</A>.
|
||||
fix. No global scalar or vector or per-atom quantities are stored by
|
||||
this fix for access by various <A HREF = "Section_howto.html#4_15">output
|
||||
commands</A>. No parameter of this fix can be
|
||||
used with the <I>start/stop</I> keywords of the <A HREF = "run.html">run</A> command.
|
||||
This fix is not invoked during <A HREF = "minimize.html">energy minimization</A>.
|
||||
</P>
|
||||
<P><B>Restrictions:</B> none
|
||||
</P>
|
||||
|
|
|
|||
|
|
@ -29,7 +29,7 @@ the magnitude of the force on each atom is -Kr, where r is the
|
|||
displacement of the atom from its current position to its initial
|
||||
position.
|
||||
|
||||
[Restart, fix_modify, thermo output, run start/stop, minimize info:]
|
||||
[Restart, fix_modify, output, run start/stop, minimize info:]
|
||||
|
||||
This fix writes the original coordinates of tethered atoms to "binary
|
||||
restart files"_restart.html, so that the spring effect will be the
|
||||
|
|
@ -39,11 +39,11 @@ a fix in an input script that reads a restart file, so that the
|
|||
operation of the fix continues in an uninterrupted fashion.
|
||||
|
||||
None of the "fix_modify"_fix_modify.html options are relevant to this
|
||||
fix. No quantities calculated by this fix can be output by the
|
||||
"thermo_style custom"_thermo_style.html command. No parameter of this
|
||||
fix can be used with the {start/stop} keywords of the "run"_run.html
|
||||
command. This fix is not invoked during "energy
|
||||
minimization"_minimize.html.
|
||||
fix. No global scalar or vector or per-atom quantities are stored by
|
||||
this fix for access by various "output
|
||||
commands"_Section_howto.html#4_15. No parameter of this fix can be
|
||||
used with the {start/stop} keywords of the "run"_run.html command.
|
||||
This fix is not invoked during "energy minimization"_minimize.html.
|
||||
|
||||
[Restrictions:] none
|
||||
|
||||
|
|
|
|||
|
|
@ -94,7 +94,7 @@ custom</A> command using the appropriate compute-ID.
|
|||
It also means that changing attributes of <I>thermo_temp</I> will have no
|
||||
effect on this fix.
|
||||
</P>
|
||||
<P><B>Restart, fix_modify, thermo output, run start/stop, minimize info:</B>
|
||||
<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
|
||||
</P>
|
||||
<P>No information about this fix is written to <A HREF = "restart.html">binary restart
|
||||
files</A>.
|
||||
|
|
|
|||
|
|
@ -90,7 +90,7 @@ custom"_thermo_style.html command using the appropriate compute-ID.
|
|||
It also means that changing attributes of {thermo_temp} will have no
|
||||
effect on this fix.
|
||||
|
||||
[Restart, fix_modify, thermo output, run start/stop, minimize info:]
|
||||
[Restart, fix_modify, output, run start/stop, minimize info:]
|
||||
|
||||
No information about this fix is written to "binary restart
|
||||
files"_restart.html.
|
||||
|
|
|
|||
|
|
@ -87,12 +87,13 @@ to prevent it being overwritten.
|
|||
<P>For more information about TMD, see <A HREF = "#Schlitter1">(Schlitter1)</A> and
|
||||
<A HREF = "#Schlitter2">(Schlitter2)</A>.
|
||||
</P>
|
||||
<P><B>Restart, fix_modify, thermo output, run start/stop, minimize info:</B>
|
||||
<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
|
||||
</P>
|
||||
<P>No information about this fix is written to <A HREF = "restart.html">binary restart
|
||||
files</A>. None of the <A HREF = "fix_modify.html">fix_modify</A> options
|
||||
are relevant to this fix. No quantities calculated by this fix can be
|
||||
output by the <A HREF = "thermo_style.html">thermo_style custom</A> command.
|
||||
are relevant to this fix. No global scalar or vector or per-atom
|
||||
quantities are stored by this fix for access by various <A HREF = "Section_howto.html#4_15">output
|
||||
commands</A>.
|
||||
</P>
|
||||
<P>This fix can ramp its rho parameter over multiple runs, using the
|
||||
<I>start</I> and <I>stop</I> keywords of the <A HREF = "run.html">run</A> command. See the
|
||||
|
|
|
|||
|
|
@ -84,12 +84,13 @@ to prevent it being overwritten.
|
|||
For more information about TMD, see "(Schlitter1)"_#Schlitter1 and
|
||||
"(Schlitter2)"_#Schlitter2.
|
||||
|
||||
[Restart, fix_modify, thermo output, run start/stop, minimize info:]
|
||||
[Restart, fix_modify, output, run start/stop, minimize info:]
|
||||
|
||||
No information about this fix is written to "binary restart
|
||||
files"_restart.html. None of the "fix_modify"_fix_modify.html options
|
||||
are relevant to this fix. No quantities calculated by this fix can be
|
||||
output by the "thermo_style custom"_thermo_style.html command.
|
||||
are relevant to this fix. No global scalar or vector or per-atom
|
||||
quantities are stored by this fix for access by various "output
|
||||
commands"_Section_howto.html#4_15.
|
||||
|
||||
This fix can ramp its rho parameter over multiple runs, using the
|
||||
{start} and {stop} keywords of the "run"_run.html command. See the
|
||||
|
|
|
|||
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Reference in New Issue