git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1368 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2008-01-16 19:17:20 +00:00
parent 29eaf3f060
commit 1cb34746cd
4 changed files with 6 additions and 6 deletions

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@ -91,8 +91,8 @@ system.
last 2 columns of thermo output will be the same: last 2 columns of thermo output will be the same:
</P> </P>
<PRE>compute peratom all stress/atom <PRE>compute peratom all stress/atom
compute p all sum c_peratom<B>1</B> c_peratom<B>2</B> c_peratom<B>3</B> compute p all sum c_peratom[1] c_peratom[2] c_peratom[3]
variable press equal -(c_p<B>1</B>+c_p<B>2</B>+c_p<B>3</B>)/(3*vol) variable press equal -(c_p[1]+c_p[2]+c_p[3])/(3*vol)
thermo_style custom step temp etotal press v_press thermo_style custom step temp etotal press v_press
</PRE> </PRE>
<P>IMPORTANT NOTE: The per-atom stress does NOT include contributions due <P>IMPORTANT NOTE: The per-atom stress does NOT include contributions due

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@ -87,8 +87,8 @@ These lines in an input script should yield that result. I.e. the
last 2 columns of thermo output will be the same: last 2 columns of thermo output will be the same:
compute peratom all stress/atom compute peratom all stress/atom
compute p all sum c_peratom[1] c_peratom[2] c_peratom[3] compute p all sum c_peratom\[1\] c_peratom\[2\] c_peratom\[3\]
variable press equal -(c_p[1]+c_p[2]+c_p[3])/(3*vol) variable press equal -(c_p\[1\]+c_p\[2\]+c_p\[3\])/(3*vol)
thermo_style custom step temp etotal press v_press :pre thermo_style custom step temp etotal press v_press :pre
IMPORTANT NOTE: The per-atom stress does NOT include contributions due IMPORTANT NOTE: The per-atom stress does NOT include contributions due

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@ -80,7 +80,7 @@ information for atoms in the specified group is dumped. The
included. Not all styles support all these options; see details included. Not all styles support all these options; see details
below. below.
</P> </P>
<P>IMPORTANT NOTE: Vecause periodic boundary conditions are enforced only <P>IMPORTANT NOTE: Because periodic boundary conditions are enforced only
on timesteps when neighbor lists are rebuilt, the coordinates of an on timesteps when neighbor lists are rebuilt, the coordinates of an
atom written to a dump file may be slightly outside the simulation atom written to a dump file may be slightly outside the simulation
box. box.

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@ -70,7 +70,7 @@ information for atoms in the specified group is dumped. The
included. Not all styles support all these options; see details included. Not all styles support all these options; see details
below. below.
IMPORTANT NOTE: Vecause periodic boundary conditions are enforced only IMPORTANT NOTE: Because periodic boundary conditions are enforced only
on timesteps when neighbor lists are rebuilt, the coordinates of an on timesteps when neighbor lists are rebuilt, the coordinates of an
atom written to a dump file may be slightly outside the simulation atom written to a dump file may be slightly outside the simulation
box. box.