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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4588 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2010-08-25 15:39:16 +00:00
parent ff9d3b9578
commit 02adb67715
4 changed files with 12 additions and 12 deletions
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8
doc/atom_style.html
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@ -59,7 +59,7 @@ quantities.
<TR><TD ><I>charge</I> </TD><TD > charge </TD><TD > atomic system with charges </TD></TR>
<TR><TD ><I>colloid</I> </TD><TD > angular velocity </TD><TD > extended spherical particles </TD></TR>
<TR><TD ><I>dipole</I> </TD><TD > charge and dipole moment </TD><TD > atomic system with dipoles </TD></TR>
<TR><TD ><I>electron</I> </TD><TD > spin and eradius </TD><TD > electronic force field </TD></TR>
<TR><TD ><I>electron</I> </TD><TD > charge and spin and eradius </TD><TD > electronic force field </TD></TR>
<TR><TD ><I>ellipsoid</I> </TD><TD > quaternion for particle orientation, angular momentum </TD><TD > extended aspherical particles </TD></TR>
<TR><TD ><I>full</I> </TD><TD > molecular + charge </TD><TD > bio-molecules </TD></TR>
<TR><TD ><I>granular</I> </TD><TD > diameter, density, angular velocity </TD><TD > granular models </TD></TR>
@ -77,9 +77,9 @@ aspherical for <I>ellipsoid</I> particles. For <I>granular</I> systems, the
particles are spherical and each has a per-particle specified
diameter. For <I>peri</I> systems, the particles are spherical and each
has a per-particle specified volume. For <I>electron</I> systems, the
particles are three dimensional Gaussians with a specified position
and bandwidth or uncertainty in position, which is described as the
eradius = electron size.
particles representing electrons are three dimensional Gaussians with
a specified position and bandwidth or uncertainty in position, which
is represented by the eradius = electron size.
</P>
<P>All of the styles assign mass to particles on a per-type basis, using
the <A HREF = "mass.html">mass</A> command, except the <I>granular</I> and <I>peri</I> styles

8
doc/atom_style.txt
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@ -56,7 +56,7 @@ quantities.
{charge} | charge | atomic system with charges |
{colloid} | angular velocity | extended spherical particles |
{dipole} | charge and dipole moment | atomic system with dipoles |
{electron} | spin and eradius | electronic force field |
{electron} | charge and spin and eradius | electronic force field |
{ellipsoid} | quaternion for particle orientation, angular momentum | extended aspherical particles |
{full} | molecular + charge | bio-molecules |
{granular} | diameter, density, angular velocity | granular models |
@ -73,9 +73,9 @@ aspherical for {ellipsoid} particles. For {granular} systems, the
particles are spherical and each has a per-particle specified
diameter. For {peri} systems, the particles are spherical and each
has a per-particle specified volume. For {electron} systems, the
particles are three dimensional Gaussians with a specified position
and bandwidth or uncertainty in position, which is described as the
eradius = electron size.
particles representing electrons are three dimensional Gaussians with
a specified position and bandwidth or uncertainty in position, which
is represented by the eradius = electron size.
All of the styles assign mass to particles on a per-type basis, using
the "mass"_mass.html command, except the {granular} and {peri} styles

4
doc/read_data.html
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@ -280,7 +280,7 @@ of analysis.
<TR><TD >charge</TD><TD > atom-ID atom-type q x y z</TD></TR>
<TR><TD >colloid</TD><TD > atom-ID atom-type x y z</TD></TR>
<TR><TD >dipole</TD><TD > atom-ID atom-type q x y z mux muy muz</TD></TR>
<TR><TD >electron</TD><TD > atom-ID atom-type spin eradius x y z</TD></TR>
<TR><TD >electron</TD><TD > atom-ID atom-type q spin eradius x y z</TD></TR>
<TR><TD >ellipsoid</TD><TD > atom-ID atom-type x y z quatw quati quatj quatk</TD></TR>
<TR><TD >full</TD><TD > atom-ID molecule-ID atom-type q x y z</TD></TR>
<TR><TD >granular</TD><TD > atom-ID atom-type diameter density x y z</TD></TR>
@ -301,7 +301,7 @@ of analysis.
<LI>x,y,z = coordinates of atom
<LI>mux,muy,muz = direction of dipole moment of atom
<LI>quatw,quati,quatj,quatk = quaternion components for orientation of atom
<LI>spin = electron spin (+1/-1)
<LI>spin = electron spin (+1/-1), 0 for nuclei
<LI>eradius = electron radius
</UL>
<P>The units for these quantities depend on the unit style; see the

4
doc/read_data.txt
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@ -260,7 +260,7 @@ bond: atom-ID molecule-ID atom-type x y z
charge: atom-ID atom-type q x y z
colloid: atom-ID atom-type x y z
dipole: atom-ID atom-type q x y z mux muy muz
electron: atom-ID atom-type spin eradius x y z
electron: atom-ID atom-type q spin eradius x y z
ellipsoid: atom-ID atom-type x y z quatw quati quatj quatk
full: atom-ID molecule-ID atom-type q x y z
granular: atom-ID atom-type diameter density x y z
@ -280,7 +280,7 @@ volume = volume of atom (distance^3 units)
x,y,z = coordinates of atom
mux,muy,muz = direction of dipole moment of atom
quatw,quati,quatj,quatk = quaternion components for orientation of atom
spin = electron spin (+1/-1)
spin = electron spin (+1/-1), 0 for nuclei
eradius = electron radius :ul
The units for these quantities depend on the unit style; see the