Loading doc/fix_heat.html +4 −4 Original line number Diff line number Diff line Loading @@ -31,10 +31,10 @@ fix 4 qout heat 1 -1.0 such that their aggregate momentum is conserved. Two of these fixes can be used to establish a temperature gradient across a simulation domain by adding heat to one group of atoms (hot reservoir) and subracting heat from another (cold reservoir). I.e. a McDLT simulation. Note that the fix is applied to a group of atoms not a geometric region, so that the atoms are affected wherever they may move to. subracting heat from another (cold reservoir). E.g. a simulation sampling from the McDLT ensemble. Note that the fix is applied to a group of atoms, not a geometric region, so that the same set of atoms is affected wherever they may move to. </P> <P>Heat addition/subtraction is performed every N timesteps. The <I>eflux</I> parameter determines the change in aggregate energy of the entire Loading doc/fix_heat.txt +4 −4 Original line number Diff line number Diff line Loading @@ -28,10 +28,10 @@ Add non-translational kinetic energy (heat) to the a group of atoms such that their aggregate momentum is conserved. Two of these fixes can be used to establish a temperature gradient across a simulation domain by adding heat to one group of atoms (hot reservoir) and subracting heat from another (cold reservoir). I.e. a McDLT simulation. Note that the fix is applied to a group of atoms not a geometric region, so that the atoms are affected wherever they may move to. subracting heat from another (cold reservoir). E.g. a simulation sampling from the McDLT ensemble. Note that the fix is applied to a group of atoms, not a geometric region, so that the same set of atoms is affected wherever they may move to. Heat addition/subtraction is performed every N timesteps. The {eflux} parameter determines the change in aggregate energy of the entire Loading Loading
doc/fix_heat.html +4 −4 Original line number Diff line number Diff line Loading @@ -31,10 +31,10 @@ fix 4 qout heat 1 -1.0 such that their aggregate momentum is conserved. Two of these fixes can be used to establish a temperature gradient across a simulation domain by adding heat to one group of atoms (hot reservoir) and subracting heat from another (cold reservoir). I.e. a McDLT simulation. Note that the fix is applied to a group of atoms not a geometric region, so that the atoms are affected wherever they may move to. subracting heat from another (cold reservoir). E.g. a simulation sampling from the McDLT ensemble. Note that the fix is applied to a group of atoms, not a geometric region, so that the same set of atoms is affected wherever they may move to. </P> <P>Heat addition/subtraction is performed every N timesteps. The <I>eflux</I> parameter determines the change in aggregate energy of the entire Loading
doc/fix_heat.txt +4 −4 Original line number Diff line number Diff line Loading @@ -28,10 +28,10 @@ Add non-translational kinetic energy (heat) to the a group of atoms such that their aggregate momentum is conserved. Two of these fixes can be used to establish a temperature gradient across a simulation domain by adding heat to one group of atoms (hot reservoir) and subracting heat from another (cold reservoir). I.e. a McDLT simulation. Note that the fix is applied to a group of atoms not a geometric region, so that the atoms are affected wherever they may move to. subracting heat from another (cold reservoir). E.g. a simulation sampling from the McDLT ensemble. Note that the fix is applied to a group of atoms, not a geometric region, so that the same set of atoms is affected wherever they may move to. Heat addition/subtraction is performed every N timesteps. The {eflux} parameter determines the change in aggregate energy of the entire Loading
