git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10954 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp
2013-11-04 20:51:55 +00:00
parent 343928a9f1
commit 315cc6011e
16 changed files with 81 additions and 6 deletions

BIN
doc/Eqs/fix_ti_rs_force.jpg Normal file

Binary file not shown.

After

Width:  |  Height:  |  Size: 1.7 KiB

View File

@ -0,0 +1,11 @@
\documentclass[12pt]{article}
\usepackage{amsmath}
\begin{document}
$$
F_{\text{total}} = \lambda F_{\text{int}}
$$
\end{document}

Binary file not shown.

After

Width:  |  Height:  |  Size: 2.5 KiB

View File

@ -0,0 +1,9 @@
\documentclass[12pt]{article}
\begin{document}
$$
\lambda(\tau) = \lambda_i + \tau \left( \lambda_f - \lambda_i \right)
$$
\end{document}

Binary file not shown.

After

Width:  |  Height:  |  Size: 3.2 KiB

View File

@ -0,0 +1,9 @@
\documentclass[12pt]{article}
\begin{document}
$$
\lambda(\tau) = \frac{\lambda_i}{1 + \tau \left( \frac{\lambda_i}{\lambda_f} - 1 \right)}
$$
\end{document}

Binary file not shown.

After

Width:  |  Height:  |  Size: 4.7 KiB

View File

@ -0,0 +1,9 @@
\documentclass[12pt]{article}
\begin{document}
$$
\lambda(\tau) = \frac{\lambda_i}{ 1 + \log_2(1+\tau) \left( \frac{\lambda_i}{\lambda_f} - 1 \right)}
$$
\end{document}

Binary file not shown.

After

Width:  |  Height:  |  Size: 3.5 KiB

View File

@ -0,0 +1,11 @@
\documentclass[12pt]{article}
\usepackage{amsmath}
\begin{document}
$$
F_{\text{total}} = \left( 1-\lambda \right) F_{\text{solid}} + \lambda F_{\text{harm}}
$$
\end{document}

Binary file not shown.

After

Width:  |  Height:  |  Size: 1.0 KiB

View File

@ -0,0 +1,9 @@
\documentclass[12pt]{article}
\begin{document}
$$
\lambda(\tau) = \tau
$$
\end{document}

Binary file not shown.

After

Width:  |  Height:  |  Size: 5.6 KiB

View File

@ -0,0 +1,9 @@
\documentclass[12pt]{article}
\begin{document}
$$
\lambda(\tau) = \tau^5 \left( 70 \tau^4 - 315 \tau^3 + 540 \tau^2 - 420 \tau + 126 \right)
$$
\end{document}

View File

@ -84,7 +84,7 @@ wildcard asterisk can be used in place of or in conjunction with the
an asterisk with no numeric values means all types from 1 to N. A
leading asterisk means all types from 1 to n (inclusive). A trailing
asterisk means all types from n to N (inclusive). A middle asterisk
means all types from m to n (inclusive).
means all types from m to n (inclusive).
</P>
<P>You also specify two functions, as <A HREF = "variable.html">equal-style
variables</A>. The first is specified as <I>v_name1</I>, where
@ -113,6 +113,8 @@ command.
<P>More details about the exact functional forms for the computation of
du/dl can be found in the paper by <A HREF = "#Eike">Eike</A>.
</P>
<HR>
<P><B>Output info:</B>
</P>
<P>This compute calculates a global scalar, namely dUs/dlambda. This
@ -127,8 +129,8 @@ options.
</P>
<P><B>Restrictions:</B>
</P>
<P>This compute is part of the MISC package. It is only enabled if LAMMPS
was built with that package. See the <A HREF = "Section_start.html#start_3">Making
<P>This compute is part of the MISC package. It is only enabled if
LAMMPS was built with that package. See the <A HREF = "Section_start.html#start_3">Making
LAMMPS</A> section for more info.
</P>
<P><B>Related commands:</B>
@ -137,6 +139,8 @@ LAMMPS</A> section for more info.
</P>
<P><B>Default:</B> none
</P>
<HR>
<A NAME = "Eike"></A>
<P><B>(Eike)</B> Eike and Maginn, Journal of Chemical Physics, 124, 164503 (2006).

View File

@ -76,7 +76,7 @@ wildcard asterisk can be used in place of or in conjunction with the
an asterisk with no numeric values means all types from 1 to N. A
leading asterisk means all types from 1 to n (inclusive). A trailing
asterisk means all types from n to N (inclusive). A middle asterisk
means all types from m to n (inclusive).
means all types from m to n (inclusive).
You also specify two functions, as "equal-style
variables"_variable.html. The first is specified as {v_name1}, where
@ -105,6 +105,8 @@ command.
More details about the exact functional forms for the computation of
du/dl can be found in the paper by "Eike"_#Eike.
:line
[Output info:]
This compute calculates a global scalar, namely dUs/dlambda. This
@ -119,8 +121,8 @@ The scalar value will be in energy "units"_units.html.
[Restrictions:]
This compute is part of the MISC package. It is only enabled if LAMMPS
was built with that package. See the "Making
This compute is part of the MISC package. It is only enabled if
LAMMPS was built with that package. See the "Making
LAMMPS"_Section_start.html#start_3 section for more info.
[Related commands:]
@ -129,5 +131,7 @@ LAMMPS"_Section_start.html#start_3 section for more info.
[Default:] none
:line
:link(Eike)
[(Eike)] Eike and Maginn, Journal of Chemical Physics, 124, 164503 (2006).