Loading doc/fix_rigid.html +10 −9 Original line number Diff line number Diff line Loading @@ -171,15 +171,16 @@ temperature (and pressure) computation, but only if the temperature group includes the entire rigid body. Rigid bodies in 3d have 6 degrees of freedom (3 translational, 3 rotational), except for dimers which only have 5. Rigid bodies in 2d have 3 degrees of freedom. Note that linear rigid bodies in 3d of three or more atoms also have 5 degrees of freedom instead of 6, but LAMMPS will not detect this. So you should use the <A HREF = "compute_modify.html">compute_modify</A> command to subtract an additional degree of freedom per rigid body. A linear rigid body means one consisting of point particles lying on a straight line. You may also wish to explicitly subtract additional degrees-of-freedom if you use the <I>force</I> and <I>torque</I> keywords to eliminate certain motions of the rigid body, as LAMMPS does not do this automatically. </P> <P>IMPORTANT NOTE: Linear rigid bodies are ones consisting of point particles in a straight line. Linear rigid bodies in 3d with three or more atoms also have 5 degrees of freedom instead of 6, but LAMMPS will not detect this. Thus you should use the <A HREF = "compute_modify.html">compute_modify</A> command to subtract an additional degree of freedom per rigid body. You may also wish to explicitly subtract additional degrees-of-freedom if you use the <I>force</I> and <I>torque</I> keywords to eliminate certain motions of the rigid body, as LAMMPS does not do this automatically. </P> <P>The rigid body contribution to the pressure of the system (virial) is also accounted for by this fix. Loading doc/fix_rigid.txt +10 −9 Original line number Diff line number Diff line Loading @@ -162,15 +162,16 @@ temperature (and pressure) computation, but only if the temperature group includes the entire rigid body. Rigid bodies in 3d have 6 degrees of freedom (3 translational, 3 rotational), except for dimers which only have 5. Rigid bodies in 2d have 3 degrees of freedom. Note that linear rigid bodies in 3d of three or more atoms also have 5 degrees of freedom instead of 6, but LAMMPS will not detect this. So you should use the "compute_modify"_compute_modify.html command to subtract an additional degree of freedom per rigid body. A linear rigid body means one consisting of point particles lying on a straight line. You may also wish to explicitly subtract additional degrees-of-freedom if you use the {force} and {torque} keywords to eliminate certain motions of the rigid body, as LAMMPS does not do this automatically. IMPORTANT NOTE: Linear rigid bodies are ones consisting of point particles in a straight line. Linear rigid bodies in 3d with three or more atoms also have 5 degrees of freedom instead of 6, but LAMMPS will not detect this. Thus you should use the "compute_modify"_compute_modify.html command to subtract an additional degree of freedom per rigid body. You may also wish to explicitly subtract additional degrees-of-freedom if you use the {force} and {torque} keywords to eliminate certain motions of the rigid body, as LAMMPS does not do this automatically. The rigid body contribution to the pressure of the system (virial) is also accounted for by this fix. Loading Loading
doc/fix_rigid.html +10 −9 Original line number Diff line number Diff line Loading @@ -171,15 +171,16 @@ temperature (and pressure) computation, but only if the temperature group includes the entire rigid body. Rigid bodies in 3d have 6 degrees of freedom (3 translational, 3 rotational), except for dimers which only have 5. Rigid bodies in 2d have 3 degrees of freedom. Note that linear rigid bodies in 3d of three or more atoms also have 5 degrees of freedom instead of 6, but LAMMPS will not detect this. So you should use the <A HREF = "compute_modify.html">compute_modify</A> command to subtract an additional degree of freedom per rigid body. A linear rigid body means one consisting of point particles lying on a straight line. You may also wish to explicitly subtract additional degrees-of-freedom if you use the <I>force</I> and <I>torque</I> keywords to eliminate certain motions of the rigid body, as LAMMPS does not do this automatically. </P> <P>IMPORTANT NOTE: Linear rigid bodies are ones consisting of point particles in a straight line. Linear rigid bodies in 3d with three or more atoms also have 5 degrees of freedom instead of 6, but LAMMPS will not detect this. Thus you should use the <A HREF = "compute_modify.html">compute_modify</A> command to subtract an additional degree of freedom per rigid body. You may also wish to explicitly subtract additional degrees-of-freedom if you use the <I>force</I> and <I>torque</I> keywords to eliminate certain motions of the rigid body, as LAMMPS does not do this automatically. </P> <P>The rigid body contribution to the pressure of the system (virial) is also accounted for by this fix. Loading
doc/fix_rigid.txt +10 −9 Original line number Diff line number Diff line Loading @@ -162,15 +162,16 @@ temperature (and pressure) computation, but only if the temperature group includes the entire rigid body. Rigid bodies in 3d have 6 degrees of freedom (3 translational, 3 rotational), except for dimers which only have 5. Rigid bodies in 2d have 3 degrees of freedom. Note that linear rigid bodies in 3d of three or more atoms also have 5 degrees of freedom instead of 6, but LAMMPS will not detect this. So you should use the "compute_modify"_compute_modify.html command to subtract an additional degree of freedom per rigid body. A linear rigid body means one consisting of point particles lying on a straight line. You may also wish to explicitly subtract additional degrees-of-freedom if you use the {force} and {torque} keywords to eliminate certain motions of the rigid body, as LAMMPS does not do this automatically. IMPORTANT NOTE: Linear rigid bodies are ones consisting of point particles in a straight line. Linear rigid bodies in 3d with three or more atoms also have 5 degrees of freedom instead of 6, but LAMMPS will not detect this. Thus you should use the "compute_modify"_compute_modify.html command to subtract an additional degree of freedom per rigid body. You may also wish to explicitly subtract additional degrees-of-freedom if you use the {force} and {torque} keywords to eliminate certain motions of the rigid body, as LAMMPS does not do this automatically. The rigid body contribution to the pressure of the system (virial) is also accounted for by this fix. Loading
