(0c081ffa) · Commits · 郑智淋 / lammps

doc/Section_commands.html

+6 −6

Original line number	Diff line number	Diff line
		@@ -341,10 +341,10 @@ 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_asphere.html">erotate/asphere</A></TD><TD ><A HREF = "compute_erotate_sphere.html">erotate/sphere</A></TD><TD ><A HREF = "compute_group_group.html">group/group</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_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></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_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_centro_atom.html">centro/atom</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><TD ><A HREF = "compute_erotate_asphere.html">erotate/asphere</A></TD><TD ><A HREF = "compute_erotate_sphere.html">erotate/sphere</A></TD></TR>
		<TR ALIGN="center"><TD ><A HREF = "compute_group_group.html">group/group</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_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_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><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></TR>
		<TR ALIGN="center"><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><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
		@@ -372,8 +372,8 @@ full description:
		<TR ALIGN="center"><TD ><A HREF = "pair_lj.html">lj/cut/coul/cut</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/debye</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/long</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/long/tip4p</A></TD></TR>
		<TR ALIGN="center"><TD ><A HREF = "pair_lj_expand.html">lj/expand</A></TD><TD ><A HREF = "pair_gromacs.html">lj/gromacs</A></TD><TD ><A HREF = "pair_gromacs.html">lj/gromacs/coul/gromacs</A></TD><TD ><A HREF = "pair_lj_smooth.html">lj/smooth</A></TD></TR>
		<TR ALIGN="center"><TD ><A HREF = "pair_lubricate.html">lubricate</A></TD><TD ><A HREF = "pair_meam.html">meam</A></TD><TD ><A HREF = "pair_morse.html">morse</A></TD><TD ><A HREF = "pair_morse.html">morse/opt</A></TD></TR>
		<TR ALIGN="center"><TD ><A HREF = "pair_resquared.html">resquared</A></TD><TD ><A HREF = "pair_soft.html">soft</A></TD><TD ><A HREF = "pair_sw.html">sw</A></TD><TD ><A HREF = "pair_table.html">table</A></TD></TR>
		<TR ALIGN="center"><TD ><A HREF = "pair_tersoff.html">tersoff</A></TD><TD ><A HREF = "pair_yukawa.html">yukawa</A>
		<TR ALIGN="center"><TD ><A HREF = "pair_resquared.html">resquared</A></TD><TD ><A HREF = "pair_peri_pmb.html">peri/pmb</A></TD><TD ><A HREF = "pair_soft.html">soft</A></TD><TD ><A HREF = "pair_sw.html">sw</A></TD></TR>
		<TR ALIGN="center"><TD ><A HREF = "pair_table.html">table</A></TD><TD ><A HREF = "pair_tersoff.html">tersoff</A></TD><TD ><A HREF = "pair_yukawa.html">yukawa</A>
		</TD></TR></TABLE></DIV>

		<P>These are pair styles contributed by users, which can be used if

doc/Section_commands.txt

+2 −0

Original line number	Diff line number	Diff line
		@@ -450,6 +450,7 @@ description:

		"centro/atom"_compute_centro_atom.html,
		"coord/atom"_compute_coord_atom.html,
		"damage/atom"_compute_damage_atom.html,
		"displace/atom"_compute_displace_atom.html,
		"erotate/asphere"_compute_erotate_asphere.html,
		"erotate/sphere"_compute_erotate_sphere.html,
		@@ -526,6 +527,7 @@ full description:
		"morse"_pair_morse.html,
		"morse/opt"_pair_morse.html,
		"resquared"_pair_resquared.html,
		"peri/pmb"_pair_peri_pmb.html,
		"soft"_pair_soft.html,
		"sw"_pair_sw.html,
		"table"_pair_table.html,

doc/pair_soft.html

+3 −3

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		@@ -36,9 +36,9 @@ how to make the ramping take place across multiple runs. Rc is the
		cutoff. See the <A HREF = "fix_nve_limit.html">fix nve/limit</A> command for
		another way to push apart overlapping atoms.
		</P>
		<P>The following coefficients must be defined for each pair of atoms
		types via the <A HREF = "pair_coeff.html">pair_coeff</A> command as in the examples
		above, or in the data file or restart files read by the
		<P>The following coefficients must be defined for each pair of atom types
		via the <A HREF = "pair_coeff.html">pair_coeff</A> command as in the examples above,
		or in the data file or restart files read by the
		<A HREF = "read_data.html">read_data</A> or <A HREF = "read_restart.html">read_restart</A>
		commands, or by mixing as described below:
		</P>

doc/pair_soft.txt

+3 −3

Original line number	Diff line number	Diff line
		@@ -33,9 +33,9 @@ how to make the ramping take place across multiple runs. Rc is the
		cutoff. See the "fix nve/limit"_fix_nve_limit.html command for
		another way to push apart overlapping atoms.

		The following coefficients must be defined for each pair of atoms
		types via the "pair_coeff"_pair_coeff.html command as in the examples
		above, or in the data file or restart files read by the
		The following coefficients must be defined for each pair of atom types
		via the "pair_coeff"_pair_coeff.html command as in the examples above,
		or in the data file or restart files read by the
		"read_data"_read_data.html or "read_restart"_read_restart.html
		commands, or by mixing as described below:

doc/units.html

+1 −1

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		@@ -113,7 +113,7 @@ results from a unitless LJ simulation into physical quantities.
		<LI>pressure = dyne/cm^2 or barye = 1.0e-6 bars
		<LI>viscosity = Poise
		<LI>charge = statcoulombs or esu
		<LI>dipole = debye
		<LI>dipole = statcoul-cm = 10^18 debye
		<LI>electric field = statvolt/cm or dyne/esu
		</UL>
		<P>The units command also sets the timestep size and neighbor skin

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