forked from lijiext/lammps
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@430 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
sjplimp
parent
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commit
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@ -317,10 +317,10 @@ description:
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<DIV ALIGN=center><TABLE WIDTH="0%" BORDER=1 >
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<TR ALIGN="center"><TD ><A HREF = "fix_addforce.html">addforce</A></TD><TD ><A HREF = "fix_aveforce.html">aveforce</A></TD><TD ><A HREF = "fix_ave_spatial.html">ave/spatial</A></TD><TD ><A HREF = "fix_ave_time.html">ave/time</A></TD><TD ><A HREF = "fix_box_relax.html">box/relax</A></TD><TD ><A HREF = "fix_com.html">com</A></TD><TD ><A HREF = "fix_deposit.html">deposit</A></TD><TD ><A HREF = "fix_drag.html">drag</A></TD></TR>
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<TR ALIGN="center"><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_indent.html">indent</A></TD><TD ><A HREF = "fix_langevin.html">langevin</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "fix_lineforce.html">lineforce</A></TD><TD ><A HREF = "fix_msd.html">msd</A></TD><TD ><A HREF = "fix_momentum.html">momentum</A></TD><TD ><A HREF = "fix_nph.html">nph</A></TD><TD ><A HREF = "fix_npt.html">npt</A></TD><TD ><A HREF = "fix_nve.html">nve</A></TD><TD ><A HREF = "fix_nve_gran.html">nve/gran</A></TD><TD ><A HREF = "fix_nvt.html">nvt</A></TD></TR>
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<TR ALIGN="center"><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><TD ><A HREF = "fix_rigid.html">rigid</A></TD></TR>
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<TR ALIGN="center"><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><TD ><A HREF = "fix_uniaxial.html">uniaxial</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "fix_viscous.html">viscous</A></TD><TD ><A HREF = "fix_volume_rescale.html">volume/rescale</A></TD><TD ><A HREF = "fix_wall_gran.html">wall/gran</A></TD><TD ><A HREF = "fix_wall_lj93.html">wall/lj93</A></TD><TD ><A HREF = "fix_wall_lj126.html">wall/lj126</A></TD><TD ><A HREF = "fix_wall_reflect.html">wall/reflect</A></TD><TD ><A HREF = "fix_wiggle.html">wiggle</A>
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<TR ALIGN="center"><TD ><A HREF = "fix_lineforce.html">lineforce</A></TD><TD ><A HREF = "fix_msd.html">msd</A></TD><TD ><A HREF = "fix_momentum.html">momentum</A></TD><TD ><A HREF = "fix_nph.html">nph</A></TD><TD ><A HREF = "fix_npt.html">npt</A></TD><TD ><A HREF = "fix_nve.html">nve</A></TD><TD ><A HREF = "fix_nve_gran.html">nve/gran</A></TD><TD ><A HREF = "fix_nve_noforce.html">nve/noforce</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "fix_nvt.html">nvt</A></TD><TD ><A HREF = "fix_orient_fcc.html">orient/fcc</A></TD><TD ><A HREF = "fix_planeforce.html">planeforce</A></TD><TD ><A HREF = "fix_poems.html">poems</A></TD><TD ><A HREF = "fix_pour.html">pour</A></TD><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_uniaxial.html">uniaxial</A></TD><TD ><A HREF = "fix_viscous.html">viscous</A></TD><TD ><A HREF = "fix_volume_rescale.html">volume/rescale</A></TD><TD ><A HREF = "fix_wall_gran.html">wall/gran</A></TD><TD ><A HREF = "fix_wall_lj93.html">wall/lj93</A></TD><TD ><A HREF = "fix_wall_lj126.html">wall/lj126</A></TD><TD ><A HREF = "fix_wall_reflect.html">wall/reflect</A></TD><TD ><A HREF = "fix_wiggle.html">wiggle</A>
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</TD></TR></TABLE></DIV>
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<HR>
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@ -392,6 +392,7 @@ description:
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"npt"_fix_npt.html,
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"nve"_fix_nve.html,
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"nve/gran"_fix_nve_gran.html,
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"nve/noforce"_fix_nve_noforce.html,
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"nvt"_fix_nvt.html,
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"orient/fcc"_fix_orient_fcc.html,
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"planeforce"_fix_planeforce.html,
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@ -86,6 +86,7 @@ made to the old fix via the <A HREF = "fix_modify.html">fix_modify</A> command.
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<LI><A HREF = "fix_npt.html">fix npt</A> - constant NPT time integration via Nose/Hoover
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<LI><A HREF = "fix_nve.html">fix nve</A> - constant NVE time integration
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<LI><A HREF = "fix_nve_gran.html">fix nve/gran</A> - NVE time integration for granular systems
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<LI><A HREF = "fix_nve_noforce.html">fix nve/noforce</A> - NVE integration without forces (v only)
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<LI><A HREF = "fix_nvt.html">fix nvt</A> - constant NVT time integration via Nose/Hoover
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<LI><A HREF = "fix_orient_fcc.html">fix orient/fcc</A> - add grain boundary migration force
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<LI><A HREF = "fix_planeforce.html">fix planeforce</A> - constrain atoms to move in a plane
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@ -86,6 +86,7 @@ Here is an alphabetic list of fix styles defined in LAMMPS:
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"fix nve"_fix_nve.html - constant NVE time integration
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"fix nve/gran"_fix_nve_gran.html - NVE time integration for \
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granular systems
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"fix nve/noforce"_fix_nve_noforce.html - NVE integration without forces (v only)
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"fix nvt"_fix_nvt.html - constant NVT time integration via Nose/Hoover
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"fix orient/fcc"_fix_orient_fcc.html - add grain boundary migration force
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"fix planeforce"_fix_planeforce.html - constrain atoms to move in a plane
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@ -0,0 +1,49 @@
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<HTML>
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<CENTER><A HREF = "http://lammps.sandia.gov">LAMMPS WWW Site</A> - <A HREF = "Manual.html">LAMMPS Documentation</A> - <A HREF = "Section_commands.html#comm">LAMMPS Commands</A>
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</CENTER>
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<HR>
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<H3>fix nve/noforce command
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</H3>
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<P><B>Syntax:</B>
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</P>
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<PRE>fix ID group-ID nve
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</PRE>
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<UL><LI>ID, group-ID are documented in <A HREF = "fix.html">fix</A> command
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<LI>nve/noforce = style name of this fix command
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</UL>
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<P><B>Examples:</B>
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</P>
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<PRE>fix 3 wall nve/noforce
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</PRE>
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<P><B>Description:</B>
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</P>
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<P>Perform updates of position, but not velocity for atoms in the group
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each timestep. In other words, the force on the atoms is ignored and
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their velocity is not updated. The atom's velocities are used to
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update their positions.
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</P>
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<P>This can be useful for wall atoms, when you set their velocities, but
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want the wall to move (or stay stationary) in a prescribed fashion.
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</P>
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<P>This can also be accomplished via the <A HREF = "fix_setforce.html">fix setforce</A>
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command, but with fix nve/noforce, the forces on the wall atoms are
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unchanged, and can thus be printed out by the <A HREF = "dump.html">dump</A> command
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or queried with an equal-style <A HREF = "variable.html">variable</A> that uses the
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fcm() group command to compute the total force on the group of atoms.
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</P>
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<P><B>Restrictions:</B> none
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</P>
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<P><B>Related commands:</B>
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</P>
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<P><A HREF = "fix_nvt.html">fix nvt</A>, <A HREF = "fix_npt.html">fix npt</A>
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</P>
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<P><B>Default:</B> none
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</P>
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</HTML>
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@ -0,0 +1,44 @@
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"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
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:link(lws,http://lammps.sandia.gov)
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:link(ld,Manual.html)
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:link(lc,Section_commands.html#comm)
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:line
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fix nve/noforce command :h3
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[Syntax:]
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fix ID group-ID nve :pre
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ID, group-ID are documented in "fix"_fix.html command
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nve/noforce = style name of this fix command :ul
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[Examples:]
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fix 3 wall nve/noforce :pre
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[Description:]
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Perform updates of position, but not velocity for atoms in the group
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each timestep. In other words, the force on the atoms is ignored and
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their velocity is not updated. The atom's velocities are used to
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update their positions.
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This can be useful for wall atoms, when you set their velocities, but
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want the wall to move (or stay stationary) in a prescribed fashion.
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This can also be accomplished via the "fix setforce"_fix_setforce.html
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command, but with fix nve/noforce, the forces on the wall atoms are
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unchanged, and can thus be printed out by the "dump"_dump.html command
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or queried with an equal-style "variable"_variable.html that uses the
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fcm() group command to compute the total force on the group of atoms.
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[Restrictions:] none
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[Related commands:]
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"fix nvt"_fix_nvt.html, "fix npt"_fix_npt.html
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[Default:] none
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@ -29,8 +29,9 @@
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thermo keywords = vol, ke, press, etc from <A HREF = "thermo_style.html">thermo_style</A>
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math functions = add(x,y), sub(x,y), mult(x,y), div(x,y),
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neg(x), pow(x,y), exp(x), ln(x), sqrt(x)
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group functions = mass(group), charge(group), xcm(group,dim),
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vcm(group,dim), bound(group,xmin), gyration(group)
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group functions = mass(group), charge(group),
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xcm(group,dim), vcm(group,dim), fcm(group,dim),
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bound(group,xmin), gyration(group)
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atom vectors for <I>equal</I> = mass[N], x[N], y[N], z[N],
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vx[N], vy[N], vz[N],
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fx[N], fy[N], fz[N]
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@ -196,7 +197,7 @@ variables; the syntax of Atom vector references is different.
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<TR><TD >Number</TD><TD > 0.2, 1.0e20, -15.4, etc</TD></TR>
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<TR><TD >Thermo keywords</TD><TD > vol, pe, ebond, etc</TD></TR>
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<TR><TD >Math functions</TD><TD > add(x,y), sub(x,y), mult(x,y), div(x,y), neg(x), pow(x,y), exp(x), ln(x), sqrt(x)</TD></TR>
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<TR><TD >Group functions</TD><TD > mass(ID), charge(ID), xcm(ID,dim), vcm(ID,dim), bound(ID,dir), gyration(ID)</TD></TR>
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<TR><TD >Group functions</TD><TD > mass(ID), charge(ID), xcm(ID,dim), vcm(ID,dim), fcm(ID,dim) bound(ID,dir), gyration(ID)</TD></TR>
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<TR><TD >Atom vectors for <I>equal</I></TD><TD > mass[N], x[N], y[N], z[N], vx[N], vy[N], vz[N], fx[N], fy[N], fz[N]</TD></TR>
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<TR><TD >Atom vectors for <I>atom</I></TD><TD > mass[], x[], y[], z[], vx[], vy[], vz[], fx[], fy[], fz[]</TD></TR>
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<TR><TD >Compute references</TD><TD > c_ID[0], c_ID[N]</TD></TR>
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@ -220,8 +221,9 @@ group-ID. The <I>dim</I> argument is <I>x</I> or <I>y</I> or <I>z</I>. The <I>
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argument is <I>xmin</I>, <I>xmax</I>, <I>ymin</I>, <I>ymax</I>, <I>zmin</I>, or <I>zmax</I>. The
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group functions mass() and charge() are the total mass and charge of
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the group of atoms. Xcm() and vcm() return components of the position
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and velocity of the center of mass of the group. Bound() returns the
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min/max of a particular coordinate for all atoms in the group.
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and velocity of the center of mass of the group. Fcm() returns a
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component of the total force on the group of atoms. Bound() returns
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the min/max of a particular coordinate for all atoms in the group.
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Gyration() computes the radius-of-gyration of the group of atoms. See
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the <A HREF = "fix_gyration.html">fix gyration</A> command for the formula.
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</P>
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@ -24,8 +24,9 @@ style = {index} or {loop} or {world} or {universe} or {uloop} or {equal} or {ato
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thermo keywords = vol, ke, press, etc from "thermo_style"_thermo_style.html
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math functions = add(x,y), sub(x,y), mult(x,y), div(x,y),
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neg(x), pow(x,y), exp(x), ln(x), sqrt(x)
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group functions = mass(group), charge(group), xcm(group,dim),
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vcm(group,dim), bound(group,xmin), gyration(group)
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group functions = mass(group), charge(group),
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xcm(group,dim), vcm(group,dim), fcm(group,dim),
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bound(group,xmin), gyration(group)
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atom vectors for {equal} = mass\[N\], x\[N\], y\[N\], z\[N\],
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vx\[N\], vy\[N\], vz\[N\],
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fx\[N\], fy\[N\], fz\[N\]
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Thermo keywords: vol, pe, ebond, etc
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Math functions: add(x,y), sub(x,y), mult(x,y), div(x,y), \
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neg(x), pow(x,y), exp(x), ln(x), sqrt(x)
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Group functions: mass(ID), charge(ID), xcm(ID,dim), vcm(ID,dim), \
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Group functions: mass(ID), charge(ID), xcm(ID,dim), vcm(ID,dim), fcm(ID,dim) \
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bound(ID,dir), gyration(ID)
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Atom vectors for {equal}: mass\[N\], x\[N\], y\[N\], z\[N\], \
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vx\[N\], vy\[N\], vz\[N\], \
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argument is {xmin}, {xmax}, {ymin}, {ymax}, {zmin}, or {zmax}. The
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group functions mass() and charge() are the total mass and charge of
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the group of atoms. Xcm() and vcm() return components of the position
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and velocity of the center of mass of the group. Bound() returns the
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min/max of a particular coordinate for all atoms in the group.
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and velocity of the center of mass of the group. Fcm() returns a
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component of the total force on the group of atoms. Bound() returns
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the min/max of a particular coordinate for all atoms in the group.
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Gyration() computes the radius-of-gyration of the group of atoms. See
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the "fix gyration"_fix_gyration.html command for the formula.
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