diff --git a/doc/Section_commands.html b/doc/Section_commands.html index dfb7ef7034b630312d77b6077890f2dfad59b8b5..e70932d938e41f1e2fc9c587158c3887b068d588 100644 --- a/doc/Section_commands.html +++ b/doc/Section_commands.html @@ -334,10 +334,10 @@ descriptions of each style or click on the style itself for a full description: </P> <DIV ALIGN=center><TABLE BORDER=1 > -<TR ALIGN="center"><TD ><A HREF = "compute_centro_atom.html">centro/atom</A></TD><TD ><A HREF = "compute_coord_atom.html">coord/atom</A></TD><TD ><A HREF = "compute_displace_atom.html">displace/atom</A></TD><TD ><A HREF = "compute_erotate_sphere.html">erotate/sphere</A></TD><TD ><A HREF = "compute_group_group.html">group/group</A></TD><TD ><A HREF = "compute_ke_atom.html">ke/atom</A></TD></TR> -<TR ALIGN="center"><TD ><A HREF = "compute_pe.html">pe</A></TD><TD ><A HREF = "compute_pe_atom.html">pe/atom</A></TD><TD ><A HREF = "compute_pressure.html">pressure</A></TD><TD ><A HREF = "compute_reduce.html">reduce</A></TD><TD ><A HREF = "compute_stress_atom.html">stress/atom</A></TD><TD ><A HREF = "compute_temp.html">temp</A></TD></TR> -<TR ALIGN="center"><TD ><A HREF = "compute_temp_asphere.html">temp/asphere</A></TD><TD ><A HREF = "compute_temp_com.html">temp/com</A></TD><TD ><A HREF = "compute_temp_deform.html">temp/deform</A></TD><TD ><A HREF = "compute_temp_partial.html">temp/partial</A></TD><TD ><A HREF = "compute_temp_ramp.html">temp/ramp</A></TD><TD ><A HREF = "compute_temp_region.html">temp/region</A></TD></TR> -<TR ALIGN="center"><TD ><A HREF = "compute_temp_sphere.html">temp/sphere</A> +<TR ALIGN="center"><TD ><A HREF = "compute_centro_atom.html">centro/atom</A></TD><TD ><A HREF = "compute_coord_atom.html">coord/atom</A></TD><TD ><A HREF = "compute_displace_atom.html">displace/atom</A></TD><TD ><A HREF = "compute_erotate_sphere.html">erotate/sphere</A></TD><TD ><A HREF = "compute_group_group.html">group/group</A></TD><TD ><A HREF = "compute_ke.html">ke</A></TD></TR> +<TR ALIGN="center"><TD ><A HREF = "compute_ke_atom.html">ke/atom</A></TD><TD ><A HREF = "compute_pe.html">pe</A></TD><TD ><A HREF = "compute_pe_atom.html">pe/atom</A></TD><TD ><A HREF = "compute_pressure.html">pressure</A></TD><TD ><A HREF = "compute_reduce.html">reduce</A></TD><TD ><A HREF = "compute_stress_atom.html">stress/atom</A></TD></TR> +<TR ALIGN="center"><TD ><A HREF = "compute_temp.html">temp</A></TD><TD ><A HREF = "compute_temp_asphere.html">temp/asphere</A></TD><TD ><A HREF = "compute_temp_com.html">temp/com</A></TD><TD ><A HREF = "compute_temp_deform.html">temp/deform</A></TD><TD ><A HREF = "compute_temp_partial.html">temp/partial</A></TD><TD ><A HREF = "compute_temp_ramp.html">temp/ramp</A></TD></TR> +<TR ALIGN="center"><TD ><A HREF = "compute_temp_region.html">temp/region</A></TD><TD ><A HREF = "compute_temp_sphere.html">temp/sphere</A> </TD></TR></TABLE></DIV> <P>These are compute styles contributed by users, which can be used if diff --git a/doc/Section_commands.txt b/doc/Section_commands.txt index f600d625c28057a2c86c0278ca00b5bfc118fe9e..353f28cf0a4a76b4c644d365e9b3362ca813c521 100644 --- a/doc/Section_commands.txt +++ b/doc/Section_commands.txt @@ -444,6 +444,7 @@ description: "displace/atom"_compute_displace_atom.html, "erotate/sphere"_compute_erotate_sphere.html, "group/group"_compute_group_group.html, +"ke"_compute_ke.html, "ke/atom"_compute_ke_atom.html, "pe"_compute_pe.html, "pe/atom"_compute_pe_atom.html, diff --git a/doc/compute.html b/doc/compute.html index 5679fffb2199dab121b5eca86f047e3f52399cb7..f1fb886ee2c5d833278c8445bd93f3938efade1a 100644 --- a/doc/compute.html +++ b/doc/compute.html @@ -114,6 +114,7 @@ available in LAMMPS: <LI><A HREF = "compute_displace_atom.html">displace/atom</A> - displacement of each atom <LI><A HREF = "compute_erotate_sphere.html">erotate/sphere</A> - rotational energy of spherical particles <LI><A HREF = "compute_group_group.html">group/group</A> - energy/force between two groups of atoms +<LI><A HREF = "compute_ke.html">ke</A> - translational kinetic energy <LI><A HREF = "compute_ke_atom.html">ke/atom</A> - kinetic energy for each atom <LI><A HREF = "compute_pe.html">pe</A> - potential energy <LI><A HREF = "compute_pe_atom.html">pe/atom</A> - potential energy for each atom diff --git a/doc/compute.txt b/doc/compute.txt index aee0dbef78e2cfca859f14e7f6ad7b1a7a8b168d..ba4f14804ce761e1c7cde077525e06496d2751de 100644 --- a/doc/compute.txt +++ b/doc/compute.txt @@ -111,6 +111,7 @@ available in LAMMPS: "displace/atom"_compute_displace_atom.html - displacement of each atom "erotate/sphere"_compute_erotate_sphere.html - rotational energy of spherical particles "group/group"_compute_group_group.html - energy/force between two groups of atoms +"ke"_compute_ke.html - translational kinetic energy "ke/atom"_compute_ke_atom.html - kinetic energy for each atom "pe"_compute_pe.html - potential energy "pe/atom"_compute_pe_atom.html - potential energy for each atom diff --git a/doc/compute_ke.html b/doc/compute_ke.html new file mode 100644 index 0000000000000000000000000000000000000000..d095a9d2695342707daa91f900e8734dc9ac7e0c --- /dev/null +++ b/doc/compute_ke.html @@ -0,0 +1,54 @@ +<HTML> +<CENTER><A HREF = "http://lammps.sandia.gov">LAMMPS WWW Site</A> - <A HREF = "Manual.html">LAMMPS Documentation</A> - <A HREF = "Section_commands.html#comm">LAMMPS Commands</A> +</CENTER> + + + + + + +<HR> + +<H3>compute erotate/sphere command +</H3> +<P><B>Syntax:</B> +</P> +<PRE>compute ID group-ID erotate/sphere +</PRE> +<UL><LI>ID, group-ID are documented in <A HREF = "compute.html">compute</A> command +<LI>erotate/sphere = style name of this compute command +</UL> +<P><B>Examples:</B> +</P> +<PRE>compute 1 all erotate/sphere +</PRE> +<P><B>Description:</B> +</P> +<P>Define a computation that calculates the rotational kinetic energy of +a group of spherical particles. +</P> +<P>The rotational energy is computed as 1/2 I w^2, where I is the moment +of inertia for a sphere and w is the particle's angular velocity. +</P> +<P>IMPORTANT NOTE: For <A HREF = "dimension.html">2d models</A>, particles are treated +as spheres, not disks, meaning their moment of inertia will be the +same as in 3d. +</P> +<P><B>Output info:</B> +</P> +<P>The scalar value calculated by this compute is "extensive", meaning it +it scales with the number of atoms in the simulation. +</P> +<P><B>Restrictions:</B> +</P> +<P>This compute requires that particles be represented as extended +spheres and not point particles. This means they will have an angular +velocity and a diameter which is determined either by the +<A HREF = "shape.html">shape</A> command or by each particle being assigned an +individual radius, e.g. for <A HREF = "atom_style.html">atom_style granular</A>. +</P> +<P><B>Related commands:</B> none +</P> +<P><B>Default:</B> none +</P> +</HTML> diff --git a/doc/compute_ke.txt b/doc/compute_ke.txt new file mode 100644 index 0000000000000000000000000000000000000000..1ee0bbce80bbf41614e18a026a52c39d5099524a --- /dev/null +++ b/doc/compute_ke.txt @@ -0,0 +1,49 @@ +"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c + +:link(lws,http://lammps.sandia.gov) +:link(ld,Manual.html) +:link(lc,Section_commands.html#comm) + +:line + +compute erotate/sphere command :h3 + +[Syntax:] + +compute ID group-ID erotate/sphere :pre + +ID, group-ID are documented in "compute"_compute.html command +erotate/sphere = style name of this compute command :ul + +[Examples:] + +compute 1 all erotate/sphere :pre + +[Description:] + +Define a computation that calculates the rotational kinetic energy of +a group of spherical particles. + +The rotational energy is computed as 1/2 I w^2, where I is the moment +of inertia for a sphere and w is the particle's angular velocity. + +IMPORTANT NOTE: For "2d models"_dimension.html, particles are treated +as spheres, not disks, meaning their moment of inertia will be the +same as in 3d. + +[Output info:] + +The scalar value calculated by this compute is "extensive", meaning it +it scales with the number of atoms in the simulation. + +[Restrictions:] + +This compute requires that particles be represented as extended +spheres and not point particles. This means they will have an angular +velocity and a diameter which is determined either by the +"shape"_shape.html command or by each particle being assigned an +individual radius, e.g. for "atom_style granular"_atom_style.html. + +[Related commands:] none + +[Default:] none