From c7fc1ead1f571bd8cc8ab4ba6eeec7d6519d9fc4 Mon Sep 17 00:00:00 2001
From: sjplimp id = atom ID
+ id = atom ID
mol = molecule ID
type = atom type
mass = atom mass
@@ -60,25 +60,25 @@
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
-
PERI package per-atom properties: + nbonds = number of bonds + +
PERI package per-atom properties:
vfrac = ???
- s0 = ???
-
- USER-EFF and USER-AWPMD package per-atom properties:
+ s0 = ???
+
+ USER-EFF and USER-AWPMD package per-atom properties:
spin = electron spin
eradius = electron radius
ervel = electron radial velocity
- erforce = electron radial force
-
- USER-SPH package per-atom properties:
+ erforce = electron radial force
+
+ USER-SPH package per-atom properties:
rho = ???
drho = ???
e = ???
de = ???
- cv = ???
-
+ cv = ???
+
fix property/atom per-atom properties:
i_name = custom integer vector with name
d_name = custom integer vector with name