git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@618 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp
2007-06-20 12:56:25 +00:00
parent a7ab72af62
commit e922a38bb8
6 changed files with 25 additions and 28 deletions

View File

@ -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_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_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_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_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_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_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> </TD></TR></TABLE></DIV>
<HR> <HR>

View File

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

View File

@ -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_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_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_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_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_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_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 <LI><A HREF = "fix_wall_lj126.html">fix wall/lj126</A> - Lennard-Jones 12-6 wall

View File

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

View File

@ -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 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 <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>, 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 <A HREF = "fix_deform.html">fix deform</A>, and <A HREF = "fix_indent.html">fix indent</A>. The
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 <A HREF = "pair_style.html">pair_style soft</A> potential also ramps its
coefficients in a similar way. coefficients in a similar way.
</P> </P>

View File

@ -48,14 +48,15 @@ longer in x than in y or z and with a circular cross-section in yz.
Ellipsoids that are spherical can be defined by setting all 3 shape Ellipsoids that are spherical can be defined by setting all 3 shape
components the same. components the same.
</P> </P>
<P>I can be specified in one of two ways. An explicit numeric value can <P>The I index can be specified in one of two ways. An explicit numeric
be used, as in the 1st example above. Or a wild-card asterik can be value can be used, as in the 1st example above. Or a wild-card
used to set the mass for multiple atom types. This takes the form "*" asterik can be used to set the mass for multiple atom types. This
or "*n" or "n*" or "m*n". If N = the number of atom types, then an takes the form "*" or "*n" or "n*" or "m*n". If N = the number of
asterik with no numeric values means all types from 1 to N. A leading atom types, then an asterik with no numeric values means all types
asterik means all types from 1 to n (inclusive). A trailing asterik from 1 to N. A leading asterik means all types from 1 to n
means all types from n to N (inclusive). A middle asterik means all (inclusive). A trailing asterik means all types from n to N
types from m to n (inclusive). (inclusive). A middle asterik means all types from m to n
(inclusive).
</P> </P>
<P>A line in a data file that specifies shape uses the same format as the <P>A line in a data file that specifies shape uses the same format as the
arguments of the shape command in an input script, except that no arguments of the shape command in an input script, except that no
@ -63,7 +64,7 @@ wild-card asterik can be used. For example, under the "Shapes"
section of a data file, the line that corresponds to the 1st example section of a data file, the line that corresponds to the 1st example
above would be listed as above would be listed as
</P> </P>
<PRE>1 1.0 <PRE>1 1.0 1.0 1.0
</PRE> </PRE>
<P><B>Restrictions:</B> <P><B>Restrictions:</B>
</P> </P>