(746a98d1) · Commits · 郑智淋 / lammps

doc/Section_commands.html

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		@@ -346,12 +346,12 @@ of each style or click on the style itself for a full description:
		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_cna_atom.html">cna/atom</A></TD><TD ><A HREF = "compute_com.html">com</A></TD><TD ><A HREF = "compute_coord_atom.html">coord/atom</A></TD><TD ><A HREF = "compute_damage_atom.html">damage/atom</A></TD><TD ><A HREF = "compute_displace_atom.html">displace/atom</A></TD></TR>
		<TR ALIGN="center"><TD ><A HREF = "compute_erotate_asphere.html">erotate/asphere</A></TD><TD ><A HREF = "compute_erotate_sphere.html">erotate/sphere</A></TD><TD ><A HREF = "compute_event_displace.html">event/displace</A></TD><TD ><A HREF = "compute_group_group.html">group/group</A></TD><TD ><A HREF = "compute_gyration.html">gyration</A></TD><TD ><A HREF = "compute_heat_flux.html">heat/flux</A></TD></TR>
		<TR ALIGN="center"><TD ><A HREF = "compute_ke.html">ke</A></TD><TD ><A HREF = "compute_ke_atom.html">ke/atom</A></TD><TD ><A HREF = "compute_msd.html">msd</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></TR>
		<TR ALIGN="center"><TD ><A HREF = "compute_property_atom.html">property/atom</A></TD><TD ><A HREF = "compute_property_local.html">property/local</A></TD><TD ><A HREF = "compute_rdf.html">rdf</A></TD><TD ><A HREF = "compute_reduce.html">reduce</A></TD><TD ><A HREF = "compute_reduce.html">reduce/region</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_profile.html">temp/profile</A></TD></TR>
		<TR ALIGN="center"><TD ><A HREF = "compute_temp_ramp.html">temp/ramp</A></TD><TD ><A HREF = "compute_temp_region.html">temp/region</A></TD><TD ><A HREF = "compute_temp_sphere.html">temp/sphere</A>
		<TR ALIGN="center"><TD ><A HREF = "compute_angle_local.html">angle/local</A></TD><TD ><A HREF = "compute_bond_local.html">bond/local</A></TD><TD ><A HREF = "compute_cna_atom.html">cna/atom</A></TD><TD ><A HREF = "compute_com.html">com</A></TD><TD ><A HREF = "compute_coord_atom.html">coord/atom</A></TD><TD ><A HREF = "compute_damage_atom.html">damage/atom</A></TD></TR>
		<TR ALIGN="center"><TD ><A HREF = "compute_displace_atom.html">displace/atom</A></TD><TD ><A HREF = "compute_erotate_asphere.html">erotate/asphere</A></TD><TD ><A HREF = "compute_erotate_sphere.html">erotate/sphere</A></TD><TD ><A HREF = "compute_event_displace.html">event/displace</A></TD><TD ><A HREF = "compute_group_group.html">group/group</A></TD><TD ><A HREF = "compute_gyration.html">gyration</A></TD></TR>
		<TR ALIGN="center"><TD ><A HREF = "compute_heat_flux.html">heat/flux</A></TD><TD ><A HREF = "compute_ke.html">ke</A></TD><TD ><A HREF = "compute_ke_atom.html">ke/atom</A></TD><TD ><A HREF = "compute_msd.html">msd</A></TD><TD ><A HREF = "compute_pe.html">pe</A></TD><TD ><A HREF = "compute_pe_atom.html">pe/atom</A></TD></TR>
		<TR ALIGN="center"><TD ><A HREF = "compute_pressure.html">pressure</A></TD><TD ><A HREF = "compute_property_atom.html">property/atom</A></TD><TD ><A HREF = "compute_property_local.html">property/local</A></TD><TD ><A HREF = "compute_rdf.html">rdf</A></TD><TD ><A HREF = "compute_reduce.html">reduce</A></TD><TD ><A HREF = "compute_reduce.html">reduce/region</A></TD></TR>
		<TR ALIGN="center"><TD ><A HREF = "compute_stress_atom.html">stress/atom</A></TD><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></TR>
		<TR ALIGN="center"><TD ><A HREF = "compute_temp_profile.html">temp/profile</A></TD><TD ><A HREF = "compute_temp_ramp.html">temp/ramp</A></TD><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

doc/Section_commands.txt

+2 −1

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		@@ -459,7 +459,8 @@ Compute styles :h4
		See the "compute"_compute.html command for one-line descriptions of
		each style or click on the style itself for a full description:

		"centro/atom"_compute_centro_atom.html,
		"angle/local"_compute_angle_local.html,
		"bond/local"_compute_bond_local.html,
		"cna/atom"_compute_cna_atom.html,
		"com"_compute_com.html,
		"coord/atom"_compute_coord_atom.html,

doc/Section_howto.html

+11 −9

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		@@ -1154,19 +1154,21 @@ other output commands.
		<H5><A NAME = "compute"></A>Computes that generate values to output
		</H5>
		<P>Every <A HREF = "compute.html">compute</A> in LAMMPS produces either global or
		per-atom or local quantities. The quantities can be scalars or
		vectors or arrays of data. The doc page for each compute command
		describes what it produces. These values can be output using
		the other commands described in this section.
		per-atom or local values. The values can be scalars or vectors or
		arrays of data. These values can be output using the other commands
		described in this section. The doc page for each compute command
		describes what it produces. Computes that produce per-atom or local
		values have the word "atom" or "local" in their style name. Computes
		without the word "atom" or "local" produce global values.
		</P>
		<H5><A NAME = "fix"></A>Fixes that generate values to output
		</H5>
		<P>Some <A HREF = "fix.html">fixes</A> in LAMMPS produces either global or per-atom or
		local quantities which can be accessed by other commands. The
		quantities can be scalars or vectors or arrays of data. The doc page
		for each fix command tells whether it produces any output quantities
		and describes them. These values can be output using the other
		commands described in this section.
		local values which can be accessed by other commands. The values can
		be scalars or vectors or arrays of data. These values can be output
		using the other commands described in this section. The doc page for
		each fix command tells whether it produces any output quantities and
		describes them.
		</P>
		<H5><A NAME = "variable"></A>Variables that generate values to output
		</H5>

doc/Section_howto.txt

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		@@ -1145,19 +1145,21 @@ other output commands.
		Computes that generate values to output :h5,link(compute)

		Every "compute"_compute.html in LAMMPS produces either global or
		per-atom or local quantities. The quantities can be scalars or
		vectors or arrays of data. The doc page for each compute command
		describes what it produces. These values can be output using
		the other commands described in this section.
		per-atom or local values. The values can be scalars or vectors or
		arrays of data. These values can be output using the other commands
		described in this section. The doc page for each compute command
		describes what it produces. Computes that produce per-atom or local
		values have the word "atom" or "local" in their style name. Computes
		without the word "atom" or "local" produce global values.

		Fixes that generate values to output :h5,link(fix)

		Some "fixes"_fix.html in LAMMPS produces either global or per-atom or
		local quantities which can be accessed by other commands. The
		quantities can be scalars or vectors or arrays of data. The doc page
		for each fix command tells whether it produces any output quantities
		and describes them. These values can be output using the other
		commands described in this section.
		local values which can be accessed by other commands. The values can
		be scalars or vectors or arrays of data. These values can be output
		using the other commands described in this section. The doc page for
		each fix command tells whether it produces any output quantities and
		describes them.

		Variables that generate values to output :h5,link(variable)

doc/compute.html

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		@@ -166,7 +166,9 @@ calculations accessed in the various ways described above.
		and what it does. Here is an alphabetic list of compute styles
		available in LAMMPS:
		</P>
		<UL><LI><A HREF = "compute_centro_atom.html">centro/atom</A> - centro-symmetry parameter for each atom
		<UL><LI><A HREF = "compute_bond_local.html">angle/local</A> - theta and energy of each angle
		<LI><A HREF = "compute_bond_local.html">bond/local</A> - distance and energy of each bond
		<LI><A HREF = "compute_centro_atom.html">centro/atom</A> - centro-symmetry parameter for each atom
		<LI><A HREF = "compute_cna_atom.html">cna/atom</A> - common neighbor analysis (CNA) for each atom
		<LI><A HREF = "compute_com.html">com</A> - center-of-mass of group of atoms
		<LI><A HREF = "compute_coord_atom.html">coord/atom</A> - coordination number for each atom

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