The mux, muy, muz keywords are specific to dipolar systems defined with an atom style of dipole. They give the orientation of -the atom's dipole. +the atom's point dipole moment.
The radius keyword is specific to extended spherical particles that have a finite size, such as granular particles defined with @@ -254,14 +256,21 @@ an atom style of granular.
The omegax, omegay, and omegaz keywords are specific to extended spherical or aspherical particles that have an angular velocity. Only -certain atom styles, such as granular or ellipsoid define this +certain atom styles, such as granular or dipole define this quantity.
-The quatw, quati, quatj, quatk, tqx, tqy, tqz keywords -are specific to aspherical particles defined with an atom style of -ellipsoid. The first 4 are the components of the quaternion that -define the orientation of the particle. The final 3 give the -rotational torque on the particle. +
The angmomx, angmomy, and angmomz keywords are specific to +extended aspherical particles that have an angular momentum. Only +the ellipsoid) atom style defines this quantity. +
+The quatw, quati, quatj, quatk keywords are for aspherical +particles defined with an atom style of ellipsoid. They are the +components of the quaternion that defines the orientation of the +particle. +
+The tqx, tqy, tqz keywords are for extended spherical or +aspherical particles that can sustain a rotational torque due +to interactions with other particles.
The c_ID and c_ID[N] keywords allow scalar or vector per-atom quantities calculated by a compute to be output. The diff --git a/doc/dump.txt b/doc/dump.txt index ae07f777eb..b700d71fec 100644 --- a/doc/dump.txt +++ b/doc/dump.txt @@ -29,6 +29,7 @@ args = list of arguments for a particular style :l vx, vy, vz, fx, fy, fz, q, mux, muy, muz, radius, omegax, omegay, omegaz, + angmomx, angmomy, angmomz, quatw, quati, quatj, quatk, tqx, tqy, tqz, c_ID, c_ID\[N\], f_ID, f_ID\[N\], v_name tag = atom ID @@ -42,10 +43,11 @@ args = list of arguments for a particular style :l fx,fy,fz = forces on atoms q = atom charge mux,muy,muz = orientation of dipolar atom - radius = radius of extended spherical atom - omegax,omegay,omegaz = angular velocity of extended atom + radius = radius of extended spherical particle + omegax,omegay,omegaz = angular velocity of extended particle + angmomx,angmomy,angmomz = angular momentum of extended particle quatw,quati,quatj,quatk = quaternion components for aspherical particles - tqx,tqy,tqz = torque on aspherical particles + tqx,tqy,tqz = torque on extended particles c_ID = per-atom scalar value calculated by a compute with ID c_ID\[N\] = Nth component of per-atom vector calculated by a compute with ID f_ID = per-atom scalar value calculated by a fix with ID @@ -236,7 +238,7 @@ is meant by scaled vs unscaled coordinates and the image flags. The {mux}, {muy}, {muz} keywords are specific to dipolar systems defined with an atom style of {dipole}. They give the orientation of -the atom's dipole. +the atom's point dipole moment. The {radius} keyword is specific to extended spherical particles that have a finite size, such as granular particles defined with @@ -244,14 +246,21 @@ an atom style of {granular}. The {omegax}, {omegay}, and {omegaz} keywords are specific to extended spherical or aspherical particles that have an angular velocity. Only -certain atom styles, such as {granular} or {ellipsoid} define this +certain atom styles, such as {granular} or {dipole} define this quantity. -The {quatw}, {quati}, {quatj}, {quatk}, {tqx}, {tqy}, {tqz} keywords -are specific to aspherical particles defined with an atom style of -{ellipsoid}. The first 4 are the components of the quaternion that -define the orientation of the particle. The final 3 give the -rotational torque on the particle. +The {angmomx}, {angmomy}, and {angmomz} keywords are specific to +extended aspherical particles that have an angular momentum. Only +the {ellipsoid) atom style defines this quantity. + +The {quatw}, {quati}, {quatj}, {quatk} keywords are for aspherical +particles defined with an atom style of {ellipsoid}. They are the +components of the quaternion that defines the orientation of the +particle. + +The {tqx}, {tqy}, {tqz} keywords are for extended spherical or +aspherical particles that can sustain a rotational torque due +to interactions with other particles. The {c_ID} and {c_ID\[N\]} keywords allow scalar or vector per-atom quantities calculated by a "compute"_compute.html to be output. The