(e922a38b) · Commits · 郑智淋 / lammps

doc/Section_commands.html

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		@@ -322,8 +322,8 @@ description:
		<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>
		<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_noforce.html">nve/noforce</A></TD><TD ><A HREF = "fix_nvt.html">nvt</A></TD><TD ><A HREF = "fix_nvt_sllod.html">nvt/sllod</A></TD><TD ><A HREF = "fix_nvt_asphere.html">nvt/asphere</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_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>
		<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>
		<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>
		<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_viscous.html">viscous</A></TD></TR>
		<TR ALIGN="center"><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>
		</TD></TR></TABLE></DIV>

		<HR>

doc/boundary.html

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		@@ -43,10 +43,9 @@ commands.
		<P>The style <I>p</I> means the box is periodic, so that particles interact
		across the boundary, and they can exit one end of the box and re-enter
		the other end. A periodic dimension can change in size due to
		constant pressure boundary conditions or volume rescaling (see the
		<A HREF = "fix_npt.html">fix npt</A> and <A HREF = "fix_volume_rescale.html">fix volume/rescale</A>
		commands). The <I>p</I> style must be applied to both faces of a
		dimension.
		constant pressure boundary conditions or box deformation (see the <A HREF = "fix_npt.html">fix
		npt</A> and <A HREF = "fix_deform.html">fix deform</A> commands). The <I>p</I>
		style must be applied to both faces of a dimension.
		</P>
		<P>The styles <I>f</I>, <I>s</I>, and <I>m</I> mean the box is non-periodic, so that
		particles do not interact across the boundary and do not move from one

doc/fix.html

+0 −2

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		@@ -103,9 +103,7 @@ made to the old fix via the <A HREF = "fix_modify.html">fix_modify</A> command.
		<LI><A HREF = "fix_spring_self.html">fix spring/self</A> - spring from each atom to its origin
		<LI><A HREF = "fix_temp_rescale.html">fix temp/rescale</A> - temperature control by velocity rescaling
		<LI><A HREF = "fix_tmd.html">fix tmd</A> - guide a group of atoms to a new configuration
		<LI><A HREF = "fix_uniaxial.html">fix uniaxial</A> - uniaxial straining of system while preserving total volume
		<LI><A HREF = "fix_viscous.html">fix viscous</A> - viscous damping for granular simulations
		<LI><A HREF = "fix_volume_rescale.html">fix volume/rescale</A> - density control by volume rescaling
		<LI><A HREF = "fix_wall_gran.html">fix wall/gran</A> - frictional wall(s) for granular simulations
		<LI><A HREF = "fix_wall_lj93.html">fix wall/lj93</A> - Lennard-Jones 9-3 wall
		<LI><A HREF = "fix_wall_lj126.html">fix wall/lj126</A> - Lennard-Jones 12-6 wall

doc/pair_gayberne.html

+9 −9

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		@@ -68,12 +68,12 @@ commands:
		</P>
		<UL><LI>epsilon = well depth (energy units)
		<LI>sigma = minimum effective particle radii (distance units)
		<LI>a = ellipsoid radius in x dimension (distance units)
		<LI>b = ellipsoid radius in y dimension (distance units)
		<LI>c = ellipsoid radius in z dimension (distance units)
		<LI>epsilon_a = relative well depth for side-to-side interactions
		<LI>epsilon_b = relative well depth for face-to-face interactions
		<LI>epsilon_c = relative well depth for end-to-end interactions
		<LI>epsilon_i_a = relative well depth of I for side-to-side interactions
		<LI>epsilon_i_b = relative well depth of I for face-to-face interactions
		<LI>epsilon_i_c = relative well depth of I for end-to-end interactions
		<LI>epsilon_j_a = relative well depth of J for side-to-side interactions
		<LI>epsilon_j_b = relative well depth of J for face-to-face interactions
		<LI>epsilon_j_c = relative well depth of J for end-to-end interactions
		<LI>cutoff (distance units)
		</UL>
		<P>The last coefficient is optional. If not specified, the global
		@@ -94,9 +94,9 @@ above. The "shift yes" option currently cannot be used with this
		potential to shift energies to 0 at the cutoff due to the anisotropic
		dependence of the interaction. Angular velocities are all set to zero
		initially. The Gay-Berne potential does not become isotropic as r
		increases <A HREF = "#Everaers">(Everaers)</A>. The distance of closest approach
		approximation becomes less accurate as the shape of ellipsoids becomes
		more dissimilar (high aspect ratio particles).
		increases <A HREF = "#Everaers">(Everaers)</A>. The distance-of-closest-approach
		approximation used by the code becomes less accurate as the shape of
		ellipsoids becomes more dissimilar (high-aspect-ratio particles).
		</P>
		<P><B>Related commands:</B>
		</P>

doc/run.html

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		@@ -70,8 +70,7 @@ performed and you want a <A HREF = "fix.html">fix</A> command that ramps some va
		of runs and not just a single run. Fixes in this category include
		<A HREF = "fix_nvt.html">fix nvt</A>, <A HREF = "fix_npt.html">fix npt</A>, <A HREF = "fix_langevin.html">fix
		langevin</A>, <A HREF = "fix_temp_rescale.html">fix temp/rescale</A>,
		<A HREF = "fix_volume_rescale.html">fix volume/rescale</A>, <A HREF = "fix_deform.html">fix
		deform</A>, and <A HREF = "fix_indent.html">fix indent</A>. The
		<A HREF = "fix_deform.html">fix deform</A>, and <A HREF = "fix_indent.html">fix indent</A>. The
		<A HREF = "pair_style.html">pair_style soft</A> potential also ramps its
		coefficients in a similar way.
		</P>

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