ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12145 f3b2605a-c512-4ea7-a41b-209d697bcdaa

Browse Source
This commit is contained in:
sjplimp
2014-06-27 17:22:45 +00:00
parent 026ff1f6dd
commit f745f24bcd
2 changed files with 24 additions and 20 deletions
Download Patch File Download Diff File Expand all files Collapse all files

22
doc/dihedral_quadratic.html
View File

@ -28,14 +28,16 @@ dihedral_coeff 100.0 80.0
</P> </P>
<CENTER><IMG SRC = "Eqs/dihedral_quadratic.jpg"> <CENTER><IMG SRC = "Eqs/dihedral_quadratic.jpg">
</CENTER> </CENTER>
<P>This dihedral potential can be used to keep a dihedral in a predefined value. <P>This dihedral potential can be used to keep a dihedral in a predefined
value (cis=zero, right-hand convention is used).
</P> </P>
<P>The following coefficients must be defined for each dihedral type via the <P>The following coefficients must be defined for each dihedral type via
<A HREF = "dihedral_coeff.html">dihedral_coeff</A> command as in the example above, or in the <A HREF = "dihedral_coeff.html">dihedral_coeff</A> command as in the example
the data file or restart files read by the <A HREF = "read_data.html">read_data</A> above, or in the data file or restart files read by the
or <A HREF = "read_restart.html">read_restart</A> commands: <A HREF = "read_data.html">read_data</A> or <A HREF = "read_restart.html">read_restart</A>
commands:
</P> </P>
<UL><LI>K (energy) <UL><LI>K (energy/radian^2)
<LI>phi0 (degrees) <LI>phi0 (degrees)
</UL> </UL>
<HR> <HR>
@ -47,10 +49,10 @@ discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A> of the
manual. The accelerated styles take the same arguments and should manual. The accelerated styles take the same arguments and should
produce the same results, except for round-off and precision issues. produce the same results, except for round-off and precision issues.
</P> </P>
<P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT <P>These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and
packages, respectively. They are only enabled if LAMMPS was built with OPT packages, respectively. They are only enabled if LAMMPS was built
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</A> with those packages. See the <A HREF = "Section_start.html#start_3">Making
section for more info. LAMMPS</A> section for more info.
</P> </P>
<P>You can specify the accelerated styles explicitly in your input script <P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line

22
doc/dihedral_quadratic.txt
View File

@ -24,14 +24,16 @@ The {quadratic} dihedral style uses the potential:
:c,image(Eqs/dihedral_quadratic.jpg) :c,image(Eqs/dihedral_quadratic.jpg)
This dihedral potential can be used to keep a dihedral in a predefined value. This dihedral potential can be used to keep a dihedral in a predefined
value (cis=zero, right-hand convention is used).
The following coefficients must be defined for each dihedral type via the The following coefficients must be defined for each dihedral type via
"dihedral_coeff"_dihedral_coeff.html command as in the example above, or in the "dihedral_coeff"_dihedral_coeff.html command as in the example
the data file or restart files read by the "read_data"_read_data.html above, or in the data file or restart files read by the
or "read_restart"_read_restart.html commands: "read_data"_read_data.html or "read_restart"_read_restart.html
commands:
K (energy) K (energy/radian^2)
phi0 (degrees) :ul phi0 (degrees) :ul
:line :line
@ -43,10 +45,10 @@ discussed in "Section_accelerate"_Section_accelerate.html of the
manual. The accelerated styles take the same arguments and should manual. The accelerated styles take the same arguments and should
produce the same results, except for round-off and precision issues. produce the same results, except for round-off and precision issues.
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and
packages, respectively. They are only enabled if LAMMPS was built with OPT packages, respectively. They are only enabled if LAMMPS was built
those packages. See the "Making LAMMPS"_Section_start.html#start_3 with those packages. See the "Making
section for more info. LAMMPS"_Section_start.html#start_3 section for more info.
You can specify the accelerated styles explicitly in your input script You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line by including their suffix, or you can use the "-suffix command-line