git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12070 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp
2014-06-04 21:27:34 +00:00
parent 1f667449d1
commit 58a3ddffd5
8 changed files with 51 additions and 17 deletions

View File

@ -29,15 +29,17 @@
angmomx, angmomy, angmomz,
shapex,shapey, shapez,
quatw, quati, quatj, quatk, tqx, tqy, tqz,
spin, eradius, ervel, erforce
end1x, end1y, end1z, end2x, end2y, end2z,
corner1x, corner1y, corner1z,
corner2x, corner2y, corner2z,
corner3x, corner3y, corner3z,
nbonds,
spin, eradius, ervel, erforce, ervelforce,
cs, csforce, vforce, etag,
rho, drho, e, de, cv, vestx, vesty, vestz,
i_name, d_name
</PRE>
<PRE> id = atom ID
<P> id = atom ID
mol = molecule ID
type = atom type
mass = atom mass
@ -56,13 +58,28 @@
shapex,shapey,shapez = 3 diameters of aspherical particle
quatw,quati,quatj,quatk = quaternion components for aspherical or body particles
tqx,tqy,tqz = torque on finite-size particles
end12x, end12y, end12z = end points of line segment
corner123x, corner123y, corner123z = corner points of triangle
nbonds = number of bonds
</P>
<P> PERI package per-atom properties:
vfrac = ???
s0 = ???
</P>
<P> USER-EFF and USER-AWPMD package per-atom properties:
spin = electron spin
eradius = electron radius
ervel = electron radial velocity
erforce = electron radial force
end12x, end12y, end12z = end points of line segment
corner123x, corner123y, corner123z = corner points of triangle
nbonds = number of bonds
</P>
<P> USER-SPH package per-atom properties:
rho = ???
drho = ???
e = ???
de = ???
cv = ???
</P>
<PRE> <A HREF = "fix_property_atom.html">fix property/atom</A> per-atom properties:
i_name = custom integer vector with name
d_name = custom integer vector with name
</PRE>