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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8007 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2012-04-10 14:40:15 +00:00
parent de1c09f655
commit e75bdb13f0
3 changed files with 25 additions and 25 deletions
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6
doc/Section_howto.html
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@ -826,7 +826,7 @@ The transformation is given by the following equation:
<P>If it should happen that
<B>A</B>, <B>B</B>, and <B>C</B> form a left-handed basis, then it is necessary
to first apply an inversion in addition to rotation. This can be achieved
by interchanging two of the vectors or changing the sign of one of them.
by interchanging two of the basis vectors or changing the sign of one of them.
</P>
<P>There is no requirement that a triclinic box be periodic in any
dimension, though it typically should be in at least the 2nd dimension
@ -1237,7 +1237,7 @@ discussed below, it can be referenced via the following bracket
notation, where ID in this case is the ID of a compute. The leading
"c_" would be replaced by "f_" for a fix, or "v_" for a variable:
</P>
<DIV ALIGN=center><TABLE WIDTH="0%" BORDER=1 >
<DIV ALIGN=center><TABLE BORDER=1 >
<TR><TD >c_ID </TD><TD > entire scalar, vector, or array</TD></TR>
<TR><TD >c_ID[I] </TD><TD > one element of vector, one column of array</TD></TR>
<TR><TD >c_ID[I][J] </TD><TD > one element of array
@ -1436,7 +1436,7 @@ data and scalar/vector/array data.
input, that could be an element of a vector or array. Likewise a
vector input could be a column of an array.
</P>
<DIV ALIGN=center><TABLE WIDTH="0%" BORDER=1 >
<DIV ALIGN=center><TABLE BORDER=1 >
<TR><TD >Command</TD><TD > Input</TD><TD > Output</TD><TD ></TD></TR>
<TR><TD ><A HREF = "thermo_style.html">thermo_style custom</A></TD><TD > global scalars</TD><TD > screen, log file</TD><TD ></TD></TR>
<TR><TD ><A HREF = "dump.html">dump custom</A></TD><TD > per-atom vectors</TD><TD > dump file</TD><TD ></TD></TR>

22
doc/fix_nh.html
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@ -50,8 +50,8 @@ keyword = <I>temp</I> or <I>iso</I> or <I>aniso</I> or <I>tri</I> or <I>x</I> or
<I>scaleyz</I> value = <I>yes</I> or <I>no</I> = scale yz with lz
<I>scalexz</I> value = <I>yes</I> or <I>no</I> = scale xz with lz
<I>scalexy</I> value = <I>yes</I> or <I>no</I> = scale xy with ly
<I>fixedpoint</I> Values = x, y, z
x, y, z = fixed point for barostat volume changes (distance units)
<I>fixedpoint</I> values = x y z
x,y,z = perform barostat dilation/contraction around this point (distance units)
</PRE>
</UL>
@ -288,15 +288,15 @@ situations. In older versions of LAMMPS, scaling of tilt factors was
not performed. The old behavior can be recovered by setting all three
scale keywords to <I>no</I>.
</P>
<P>The <I>fixedpoint</I> keyword specifies the fixed point for barostat
volume changes. By default, it is the center of the box.
Whatever point is chosen will not move during the simulation.
For example, if the lower periodic boundaries pass through (0,0,0),
and this point is provided to <I>fixedpoint</I>, then the lower
periodic boundaries will remain at (0,0,0), while the upper periodic
boundaries will move twice as far. In all cases, the particle
trajectories are unaffected by the chosen value,
except for a time-dependent constant translation of positions.
<P>The <I>fixedpoint</I> keyword specifies the fixed point for barostat volume
changes. By default, it is the center of the box. Whatever point is
chosen will not move during the simulation. For example, if the lower
periodic boundaries pass through (0,0,0), and this point is provided
to <I>fixedpoint</I>, then the lower periodic boundaries will remain at
(0,0,0), while the upper periodic boundaries will move twice as
far. In all cases, the particle trajectories are unaffected by the
chosen value, except for a time-dependent constant translation of
positions.
</P>
<HR>

22
doc/fix_nh.txt
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@ -41,8 +41,8 @@ keyword = {temp} or {iso} or {aniso} or {tri} or {x} or {y} or {z} or {xy} or {y
{scaleyz} value = {yes} or {no} = scale yz with lz
{scalexz} value = {yes} or {no} = scale xz with lz
{scalexy} value = {yes} or {no} = scale xy with ly
{fixedpoint} Values = x, y, z
x, y, z = fixed point for barostat volume changes (distance units) :pre
{fixedpoint} values = x y z
x,y,z = perform barostat dilation/contraction around this point (distance units) :pre
:ule
@ -279,15 +279,15 @@ situations. In older versions of LAMMPS, scaling of tilt factors was
not performed. The old behavior can be recovered by setting all three
scale keywords to {no}.
The {fixedpoint} keyword specifies the fixed point for barostat
volume changes. By default, it is the center of the box.
Whatever point is chosen will not move during the simulation.
For example, if the lower periodic boundaries pass through (0,0,0),
and this point is provided to {fixedpoint}, then the lower
periodic boundaries will remain at (0,0,0), while the upper periodic
boundaries will move twice as far. In all cases, the particle
trajectories are unaffected by the chosen value,
except for a time-dependent constant translation of positions.
The {fixedpoint} keyword specifies the fixed point for barostat volume
changes. By default, it is the center of the box. Whatever point is
chosen will not move during the simulation. For example, if the lower
periodic boundaries pass through (0,0,0), and this point is provided
to {fixedpoint}, then the lower periodic boundaries will remain at
(0,0,0), while the upper periodic boundaries will move twice as
far. In all cases, the particle trajectories are unaffected by the
chosen value, except for a time-dependent constant translation of
positions.
:line