Loading doc/compute_ackland_atom.html +9 −2 Original line number Diff line number Diff line Loading @@ -25,14 +25,14 @@ <P><B>Description:</B> </P> <P>Defines a computation that calculates the local lattice structure according to <A HREF = "#Ackland">(Ackland)</A>. according to the formulation given in <A HREF = "#Ackland">(Ackland)</A>. </P> <P>In contrast to the <A HREF = "compute_centro_atom.html">centro-symmetry parameter</A> this method is stable against temperature boost, because it is based not on the distance between particles but the angles. Therefore statistical fluctuations are averaged out a little more. A comparison with the Common Neighbor Analysis metric is made in the paper.. Analysis metric is made in the paper. </P> <P>The result is a number which is mapped to the following different lattice structures: Loading @@ -49,6 +49,13 @@ is dumped). Thus it can be inefficient to compute/dump this quantity too frequently or to have multiple compute/dump commands, each of which computes this quantity.- </P> <P><B>Output info:</B> </P> <P>This compute calculates a scalar quantity for each atom, which can be accessed by any command that uses per-atom computes as input. See <A HREF = "Section_howto.html#4_15">this section</A> for an overview of LAMMPS output options. </P> <P><B>Restrictions:</B> none </P> <P><B>Related commands:</B> Loading doc/compute_ackland_atom.txt +9 −2 Original line number Diff line number Diff line Loading @@ -22,14 +22,14 @@ compute 1 all ackland/atom :pre [Description:] Defines a computation that calculates the local lattice structure according to "(Ackland)"_#Ackland. according to the formulation given in "(Ackland)"_#Ackland. In contrast to the "centro-symmetry parameter"_compute_centro_atom.html this method is stable against temperature boost, because it is based not on the distance between particles but the angles. Therefore statistical fluctuations are averaged out a little more. A comparison with the Common Neighbor Analysis metric is made in the paper.. Analysis metric is made in the paper. The result is a number which is mapped to the following different lattice structures: Loading @@ -46,6 +46,13 @@ is dumped). Thus it can be inefficient to compute/dump this quantity too frequently or to have multiple compute/dump commands, each of which computes this quantity.- [Output info:] This compute calculates a scalar quantity for each atom, which can be accessed by any command that uses per-atom computes as input. See "this section"_Section_howto.html#4_15 for an overview of LAMMPS output options. [Restrictions:] none [Related commands:] Loading doc/compute_centro_atom.html +7 −0 Original line number Diff line number Diff line Loading @@ -50,6 +50,13 @@ is dumped). Thus it can be inefficient to compute/dump this quantity too frequently or to have multiple compute/dump commands, each of a <I>centro/atom</I> style. </P> <P><B>Output info:</B> </P> <P>This compute calculates a scalar quantity for each atom, which can be accessed by any command that uses per-atom computes as input. See <A HREF = "Section_howto.html#4_15">this section</A> for an overview of LAMMPS output options. </P> <P><B>Restrictions:</B> none </P> <P><B>Related commands:</B> none Loading doc/compute_centro_atom.txt +7 −0 Original line number Diff line number Diff line Loading @@ -47,6 +47,13 @@ is dumped). Thus it can be inefficient to compute/dump this quantity too frequently or to have multiple compute/dump commands, each of a {centro/atom} style. [Output info:] This compute calculates a scalar quantity for each atom, which can be accessed by any command that uses per-atom computes as input. See "this section"_Section_howto.html#4_15 for an overview of LAMMPS output options. [Restrictions:] none [Related commands:] none Loading doc/compute_coord_atom.html +7 −0 Original line number Diff line number Diff line Loading @@ -42,6 +42,13 @@ is dumped). Thus it can be inefficient to compute/dump this quantity too frequently or to have multiple compute/dump commands, each of a <I>coord/atom</I> style. </P> <P><B>Output info:</B> </P> <P>This compute calculates a scalar quantity for each atom, which can be accessed by any command that uses per-atom computes as input. See <A HREF = "Section_howto.html#4_15">this section</A> for an overview of LAMMPS output options. </P> <P><B>Restrictions:</B> none </P> <P><B>Related commands:</B> none Loading Loading
doc/compute_ackland_atom.html +9 −2 Original line number Diff line number Diff line Loading @@ -25,14 +25,14 @@ <P><B>Description:</B> </P> <P>Defines a computation that calculates the local lattice structure according to <A HREF = "#Ackland">(Ackland)</A>. according to the formulation given in <A HREF = "#Ackland">(Ackland)</A>. </P> <P>In contrast to the <A HREF = "compute_centro_atom.html">centro-symmetry parameter</A> this method is stable against temperature boost, because it is based not on the distance between particles but the angles. Therefore statistical fluctuations are averaged out a little more. A comparison with the Common Neighbor Analysis metric is made in the paper.. Analysis metric is made in the paper. </P> <P>The result is a number which is mapped to the following different lattice structures: Loading @@ -49,6 +49,13 @@ is dumped). Thus it can be inefficient to compute/dump this quantity too frequently or to have multiple compute/dump commands, each of which computes this quantity.- </P> <P><B>Output info:</B> </P> <P>This compute calculates a scalar quantity for each atom, which can be accessed by any command that uses per-atom computes as input. See <A HREF = "Section_howto.html#4_15">this section</A> for an overview of LAMMPS output options. </P> <P><B>Restrictions:</B> none </P> <P><B>Related commands:</B> Loading
doc/compute_ackland_atom.txt +9 −2 Original line number Diff line number Diff line Loading @@ -22,14 +22,14 @@ compute 1 all ackland/atom :pre [Description:] Defines a computation that calculates the local lattice structure according to "(Ackland)"_#Ackland. according to the formulation given in "(Ackland)"_#Ackland. In contrast to the "centro-symmetry parameter"_compute_centro_atom.html this method is stable against temperature boost, because it is based not on the distance between particles but the angles. Therefore statistical fluctuations are averaged out a little more. A comparison with the Common Neighbor Analysis metric is made in the paper.. Analysis metric is made in the paper. The result is a number which is mapped to the following different lattice structures: Loading @@ -46,6 +46,13 @@ is dumped). Thus it can be inefficient to compute/dump this quantity too frequently or to have multiple compute/dump commands, each of which computes this quantity.- [Output info:] This compute calculates a scalar quantity for each atom, which can be accessed by any command that uses per-atom computes as input. See "this section"_Section_howto.html#4_15 for an overview of LAMMPS output options. [Restrictions:] none [Related commands:] Loading
doc/compute_centro_atom.html +7 −0 Original line number Diff line number Diff line Loading @@ -50,6 +50,13 @@ is dumped). Thus it can be inefficient to compute/dump this quantity too frequently or to have multiple compute/dump commands, each of a <I>centro/atom</I> style. </P> <P><B>Output info:</B> </P> <P>This compute calculates a scalar quantity for each atom, which can be accessed by any command that uses per-atom computes as input. See <A HREF = "Section_howto.html#4_15">this section</A> for an overview of LAMMPS output options. </P> <P><B>Restrictions:</B> none </P> <P><B>Related commands:</B> none Loading
doc/compute_centro_atom.txt +7 −0 Original line number Diff line number Diff line Loading @@ -47,6 +47,13 @@ is dumped). Thus it can be inefficient to compute/dump this quantity too frequently or to have multiple compute/dump commands, each of a {centro/atom} style. [Output info:] This compute calculates a scalar quantity for each atom, which can be accessed by any command that uses per-atom computes as input. See "this section"_Section_howto.html#4_15 for an overview of LAMMPS output options. [Restrictions:] none [Related commands:] none Loading
doc/compute_coord_atom.html +7 −0 Original line number Diff line number Diff line Loading @@ -42,6 +42,13 @@ is dumped). Thus it can be inefficient to compute/dump this quantity too frequently or to have multiple compute/dump commands, each of a <I>coord/atom</I> style. </P> <P><B>Output info:</B> </P> <P>This compute calculates a scalar quantity for each atom, which can be accessed by any command that uses per-atom computes as input. See <A HREF = "Section_howto.html#4_15">this section</A> for an overview of LAMMPS output options. </P> <P><B>Restrictions:</B> none </P> <P><B>Related commands:</B> none Loading
