Loading doc/fix_setforce.html +7 −5 Original line number Diff line number Diff line Loading @@ -44,7 +44,9 @@ fix 2 edge setforce NULL 0.0 v_oscillate values fx,fy,fz. This erases all previously computed forces on the atom, though additional fixes could add new forces. This command can be used to freeze certain atoms in the simulation by zeroing their force, assuming their initial velocity zero. force, either for running dynamics or performing an energy minimization. For dynamics, this assumes their initial velocity is also zero. </P> <P>Any of the fx,fy,fz values can be specified as NULL which means do not alter the force component in that dimension. Loading Loading @@ -86,10 +88,10 @@ fix are "extensive". the <A HREF = "run.html">run</A> command. </P> <P>The forces due to this fix are imposed during an energy minimization, invoked by the <A HREF = "minimize.html">minimize</A> command. You should not specify force components with a variable that has time-dependence for use with a minimizer, since the minimizer increments the timestep as the iteration count during the minimization. invoked by the <A HREF = "minimize.html">minimize</A> command, but you cannot set forces to any value besides zero when performing a minimization. Use the <A HREF = "fix_addforce.html">fix addforce</A> command if you want to apply a non-zero force to atoms during a minimization. </P> <P><B>Restrictions:</B> none </P> Loading doc/fix_setforce.txt +7 −5 Original line number Diff line number Diff line Loading @@ -34,7 +34,9 @@ Set each component of force on each atom in the group to the specified values fx,fy,fz. This erases all previously computed forces on the atom, though additional fixes could add new forces. This command can be used to freeze certain atoms in the simulation by zeroing their force, assuming their initial velocity zero. force, either for running dynamics or performing an energy minimization. For dynamics, this assumes their initial velocity is also zero. Any of the fx,fy,fz values can be specified as NULL which means do not alter the force component in that dimension. Loading Loading @@ -76,10 +78,10 @@ No parameter of this fix can be used with the {start/stop} keywords of the "run"_run.html command. The forces due to this fix are imposed during an energy minimization, invoked by the "minimize"_minimize.html command. You should not specify force components with a variable that has time-dependence for use with a minimizer, since the minimizer increments the timestep as the iteration count during the minimization. invoked by the "minimize"_minimize.html command, but you cannot set forces to any value besides zero when performing a minimization. Use the "fix addforce"_fix_addforce.html command if you want to apply a non-zero force to atoms during a minimization. [Restrictions:] none Loading Loading
doc/fix_setforce.html +7 −5 Original line number Diff line number Diff line Loading @@ -44,7 +44,9 @@ fix 2 edge setforce NULL 0.0 v_oscillate values fx,fy,fz. This erases all previously computed forces on the atom, though additional fixes could add new forces. This command can be used to freeze certain atoms in the simulation by zeroing their force, assuming their initial velocity zero. force, either for running dynamics or performing an energy minimization. For dynamics, this assumes their initial velocity is also zero. </P> <P>Any of the fx,fy,fz values can be specified as NULL which means do not alter the force component in that dimension. Loading Loading @@ -86,10 +88,10 @@ fix are "extensive". the <A HREF = "run.html">run</A> command. </P> <P>The forces due to this fix are imposed during an energy minimization, invoked by the <A HREF = "minimize.html">minimize</A> command. You should not specify force components with a variable that has time-dependence for use with a minimizer, since the minimizer increments the timestep as the iteration count during the minimization. invoked by the <A HREF = "minimize.html">minimize</A> command, but you cannot set forces to any value besides zero when performing a minimization. Use the <A HREF = "fix_addforce.html">fix addforce</A> command if you want to apply a non-zero force to atoms during a minimization. </P> <P><B>Restrictions:</B> none </P> Loading
doc/fix_setforce.txt +7 −5 Original line number Diff line number Diff line Loading @@ -34,7 +34,9 @@ Set each component of force on each atom in the group to the specified values fx,fy,fz. This erases all previously computed forces on the atom, though additional fixes could add new forces. This command can be used to freeze certain atoms in the simulation by zeroing their force, assuming their initial velocity zero. force, either for running dynamics or performing an energy minimization. For dynamics, this assumes their initial velocity is also zero. Any of the fx,fy,fz values can be specified as NULL which means do not alter the force component in that dimension. Loading Loading @@ -76,10 +78,10 @@ No parameter of this fix can be used with the {start/stop} keywords of the "run"_run.html command. The forces due to this fix are imposed during an energy minimization, invoked by the "minimize"_minimize.html command. You should not specify force components with a variable that has time-dependence for use with a minimizer, since the minimizer increments the timestep as the iteration count during the minimization. invoked by the "minimize"_minimize.html command, but you cannot set forces to any value besides zero when performing a minimization. Use the "fix addforce"_fix_addforce.html command if you want to apply a non-zero force to atoms during a minimization. [Restrictions:] none Loading
