git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12796 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2014-11-26 16:00:24 +00:00
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4 changed files with 22 additions and 25 deletions

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@ -33,7 +33,7 @@
</UL>
<P><B>Examples:</B>
</P>
<PRE>fix 1 all quantum method nmpimd fmass 1.0 sp 2.0 temp 300.0 nhc 4
<PRE>fix 1 all pimd method nmpimd fmass 1.0 sp 2.0 temp 300.0 nhc 4
</PRE>
<P><B>Description:</B>
</P>
@ -105,7 +105,7 @@ masses of beads, which can be used for the Partial Adiabatic CMD
<A HREF = "#Hone">(Hone)</A>, or to be set as P, which results in the fictitious
masses to be equal to the real particle masses.
</P>
<P>The keyword <I>sp</I> is a scaling factor on Plancks constant, which can
<P>The keyword <I>sp</I> is a scaling factor on Planck's constant, which can
be useful for debugging or other purposes. The default value of 1.0
is appropriate for most situations.
</P>
@ -165,31 +165,29 @@ and nhc = 2.
</P>
<HR>
<A NAME = "Feynman"></A>
<P><B>(Feynman)</B> R. Feynman and A. Hibbs, Chapter 7, Quantum Mechanics and
Path Integrals, McGraw-Hill, New York (1965).
<P>:link(Feynman) <B>(Feynman)</B> R. Feynman and A. Hibbs, Chapter 7, Quantum
Mechanics and Path Integrals, McGraw-Hill, New York (1965).
</P>
<A NAME = "Tuckerman"></A>
<P><B>(Tuckerman)</B> M. Tuckerman and B. Berne, J Chem Phys, 99, 2796 (xxxx).
<P><B>(Tuckerman)</B> M. Tuckerman and B. Berne, J Chem Phys, 99, 2796 (1993).
</P>
<A NAME = "Cao1"></A>
<P><B>(Cao1)</B> J. Cao and B. Berne, J Chem Phys, 99, 2902 (xxxx).
<P><B>(Cao1)</B> J. Cao and B. Berne, J Chem Phys, 99, 2902 (1993).
</P>
<A NAME = "Cao2"></A>
<P><B>(Cao2)</B> J. Cao and G. Voth, J Chem Phys, 100, 5093 (xxxx).
<P><B>(Cao2)</B> J. Cao and G. Voth, J Chem Phys, 100, 5093 (1994).
</P>
<A NAME = "Hone"></A>
<P><B>(Hone)</B> T. Hone, P. Rossky, G. Voth, J Chem Phys, 124,
154103 (xxxx).
154103 (2006).
</P>
<A NAME = "Calhoun"></A>
<P><B>(Calhoun)</B> A. Calhoun, M. Pavese, G. Voth, Chem Phys Letters, 262,
415 (xxxx).
415 (1996).
</P>
</HTML>