(a9318bc2) · Commits · 郑智淋 / lammps

doc/Section_commands.html

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		@@ -322,10 +322,10 @@ of each style or click on the style itself for a full description:
		<TR ALIGN="center"><TD ><A HREF = "fix_enforce2d.html">enforce2d</A></TD><TD ><A HREF = "fix_evaporate.html">evaporate</A></TD><TD ><A HREF = "fix_freeze.html">freeze</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><TD ><A HREF = "fix_indent.html">indent</A></TD><TD ><A HREF = "fix_langevin.html">langevin</A></TD></TR>
		<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_npt_asphere.html">npt/asphere</A></TD><TD ><A HREF = "fix_npt_sphere.html">npt/sphere</A></TD><TD ><A HREF = "fix_nve.html">nve</A></TD></TR>
		<TR ALIGN="center"><TD ><A HREF = "fix_nve_asphere.html">nve/asphere</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_nve_sphere.html">nve/sphere</A></TD><TD ><A HREF = "fix_nvt.html">nvt</A></TD><TD ><A HREF = "fix_nvt_asphere.html">nvt/asphere</A></TD><TD ><A HREF = "fix_nvt_sllod.html">nvt/sllod</A></TD><TD ><A HREF = "fix_nvt_sphere.html">nvt/sphere</A></TD></TR>
		<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_press_berendsen.html">press/berendsen</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>
		<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_berendsen.html">temp/berendsen</A></TD><TD ><A HREF = "fix_temp_rescale.html">temp/rescale</A></TD></TR>
		<TR ALIGN="center"><TD ><A HREF = "fix_thermal_conductivity.html">thermal/conductivity</A></TD><TD ><A HREF = "fix_tmd.html">tmd</A></TD><TD ><A HREF = "fix_ttm.html">ttm</A></TD><TD ><A HREF = "fix_viscosity.html">viscosity</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></TR>
		<TR ALIGN="center"><TD ><A HREF = "fix_wall_reflect.html">wall/reflect</A></TD><TD ><A HREF = "fix_wiggle.html">wiggle</A>
		<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_press_berendsen.html">press/berendsen</A></TD><TD ><A HREF = "fix_print.html">print</A></TD><TD ><A HREF = "fix_rdf.html">rdf</A></TD><TD ><A HREF = "fix_reax_bonds.html">reax/bonds</A></TD></TR>
		<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_berendsen.html">temp/berendsen</A></TD></TR>
		<TR ALIGN="center"><TD ><A HREF = "fix_temp_rescale.html">temp/rescale</A></TD><TD ><A HREF = "fix_thermal_conductivity.html">thermal/conductivity</A></TD><TD ><A HREF = "fix_tmd.html">tmd</A></TD><TD ><A HREF = "fix_ttm.html">ttm</A></TD><TD ><A HREF = "fix_viscosity.html">viscosity</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></TR>
		<TR ALIGN="center"><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>
		</TD></TR></TABLE></DIV>

		<P>These are fix styles contributed by users, which can be used if

doc/Section_commands.txt

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		@@ -422,6 +422,7 @@ of each style or click on the style itself for a full description:
		"press/berendsen"_fix_press_berendsen.html,
		"print"_fix_print.html,
		"rdf"_fix_rdf.html,
		"reax/bonds"_fix_reax_bonds.html,
		"recenter"_fix_recenter.html,
		"rigid"_fix_rigid.html,
		"setforce"_fix_setforce.html,

doc/fix.html

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		@@ -150,7 +150,7 @@ list of fix styles available in LAMMPS:
		<LI><A HREF = "fix_press_berendsen.html">press/berendsen</A> - pressure control by Berendsen barostat
		<LI><A HREF = "fix_print.html">print</A> - print text and variables during a simulation
		<LI><A HREF = "fix_rdf.html">rdf</A> - compute radial distribution functions
		<LI><A HREF = "fix_recenter.html">recenter</A> - constrain the center-of-mass position of a group of atoms
		<LI><A HREF = "fix_reax_bonds.html">reax/bonds</A> - write out ReaxFF bond information <A HREF = "fix_recenter.html">recenter</A> - constrain the center-of-mass position of a group of atoms
		<LI><A HREF = "fix_rigid.html">rigid</A> - constrain one or more clusters of atoms to move as a rigid body
		<LI><A HREF = "fix_setforce.html">setforce</A> - set the force on each atom
		<LI><A HREF = "fix_shake.html">shake</A> - SHAKE constraints on bonds and/or angles

doc/fix.txt

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		@@ -151,6 +151,7 @@ list of fix styles available in LAMMPS:
		Berendsen barostat
		"print"_fix_print.html - print text and variables during a simulation
		"rdf"_fix_rdf.html - compute radial distribution functions
		"reax/bonds"_fix_reax_bonds.html - write out ReaxFF bond information \
		"recenter"_fix_recenter.html - constrain the center-of-mass position \
		of a group of atoms
		"rigid"_fix_rigid.html - constrain one or more clusters of atoms to \

doc/fix_reax_bonds.html

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		<HTML>
		<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>
		</CENTER>






		<HR>

		<H3>fix reax/bonds command
		</H3>
		<P><B>Syntax:</B>
		</P>
		<PRE>fix ID group-ID reax/bonds Nevery filename
		</PRE>
		<UL><LI>ID, group-ID are documented in <A HREF = "fix.html">fix</A> command
		<LI>reax/bonds = style name of this fix command
		<LI>Nevery = output interval in timesteps
		<LI>filename = name of output file
		</UL>
		<P><B>Examples:</B>
		</P>
		<P>fix 1 all reax/bonds 100 bonds.tatb
		</P>
		<P><B>Description:</B>
		</P>
		<P>Write out the bond information computed by the ReaxFF potential
		specified by <A HREF = "pair_reax.html">pair_style reax</A>. The bond information
		is written to <I>filename</I> on timesteps that are multiples of <I>Nevery</I>,
		including timestep 0.
		</P>
		<P>The format of the output file should be self-explantory.
		</P>
		<HR>

		<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 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>
		<P>This fix requires that the <A HREF = "pair_reax.html">pair_style reax</A> be
		invoked. This fix is part of the "reax" package. It is only enabled
		if LAMMPS was built with that package, which also requires the REAX
		library be built and linked with LAMMPS. See the <A HREF = "Section_start.html#2_3">Making
		LAMMPS</A> section for more info.
		</P>
		<P><B>Related commands:</B>
		</P>
		<P><A HREF = "pair_reax.html">pair_style reax</A>
		</P>
		<P><B>Default:</B>
		</P>
		<P>none
		</P>
		</HTML>

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