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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7704 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp 2012-02-06 17:01:34 +00:00
parent a3c28800f4
commit 6b52c82ee3
2 changed files with 30 additions and 18 deletions
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24
doc/change_box.html
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@ -147,18 +147,24 @@ preceding "key". I.e. this sequence of keywords is allowed:
overall box volume is unchanged relative to its value before the
preceding keyword was invoked.
</P>
<P>If "x scale 1.1 z volume" is used, then the z box length will
shrink by the same 1.1 factor the x box length was increased by.
<P>If the following command is used, then the z box length will shrink by
the same 1.1 factor the x box length was increased by:
</P>
<P>If "x scale 1.1 y volume z volume" is used, then the y,z box lengths
will each shrink by sqrt(1.1) to keep the volume constant. In this
case, the y,z box lengths shrink so as to keep their relative aspect
ratio constant.
<PRE>change_box all x scale 1.1 z volume
</PRE>
<P>If the following command is used, then the y,z box lengths will each
shrink by sqrt(1.1) to keep the volume constant. In this case, the
y,z box lengths shrink so as to keep their relative aspect ratio
constant:
</P>
<P>If "x scale 1.1 z volume y scale 1.1 z volume" is used, then
the final box will be a factor of 10% larger in x and y, and a
factor of 21% smaller in z, so as to keep the volume constant.
<PRE>change_box all"x scale 1.1 y volume z volume
</PRE>
<P>If the following command is used, then the final box will be a factor
of 10% larger in x and y, and a factor of 21% smaller in z, so as to
keep the volume constant:
</P>
<PRE>change_box all x scale 1.1 z volume y scale 1.1 z volume
</PRE>
<P>IMPORTANT NOTE: For solids or liquids, when one dimension of the box
is expanded, it may be physically undesirable to hold the other 2 box
lengths constant since that implies a density change. For solids,

24
doc/change_box.txt
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@ -139,17 +139,23 @@ The {volume} style changes the associated dimension so that the
overall box volume is unchanged relative to its value before the
preceding keyword was invoked.
If "x scale 1.1 z volume" is used, then the z box length will
shrink by the same 1.1 factor the x box length was increased by.
If the following command is used, then the z box length will shrink by
the same 1.1 factor the x box length was increased by:
If "x scale 1.1 y volume z volume" is used, then the y,z box lengths
will each shrink by sqrt(1.1) to keep the volume constant. In this
case, the y,z box lengths shrink so as to keep their relative aspect
ratio constant.
change_box all x scale 1.1 z volume :pre
If "x scale 1.1 z volume y scale 1.1 z volume" is used, then
the final box will be a factor of 10% larger in x and y, and a
factor of 21% smaller in z, so as to keep the volume constant.
If the following command is used, then the y,z box lengths will each
shrink by sqrt(1.1) to keep the volume constant. In this case, the
y,z box lengths shrink so as to keep their relative aspect ratio
constant:
change_box all"x scale 1.1 y volume z volume :pre
If the following command is used, then the final box will be a factor
of 10% larger in x and y, and a factor of 21% smaller in z, so as to
keep the volume constant:
change_box all x scale 1.1 z volume y scale 1.1 z volume :pre
IMPORTANT NOTE: For solids or liquids, when one dimension of the box
is expanded, it may be physically undesirable to hold the other 2 box