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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7744 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp 2012-02-09 21:28:52 +00:00
parent 4a72d0fe71
commit d381265fc5
2 changed files with 14 additions and 8 deletions
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11
doc/change_box.html
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@ -102,10 +102,13 @@ new owning processors.
</P> </P>
<P>IMPORTANT NOTE: It is possible to lose atoms with this command. <P>IMPORTANT NOTE: It is possible to lose atoms with this command.
E.g. by changing the box without remapping the atoms, and having atoms E.g. by changing the box without remapping the atoms, and having atoms
end up outside of non-periodic boundaries. It is also possible when end up outside of non-periodic boundaries. It is also possible to
remapping atoms to put them (nearly) on top of each other which will alter bonds between atoms straddling a boundary in bad ways. E.g. by
lead to bad dynamics. E.g. by converting a boundary from non-periodic converting a boundary from periodic to non-periodic. It is also
to periodic. possible when remapping atoms to put them (nearly) on top of each
other. E.g. by converting a boundary from non-periodic to periodic.
All of these will typically generate error messages or lead to bad
dynamics.
</P> </P>
<P>IMPORTANT NOTE: The simulation box size/shape can be changed by <P>IMPORTANT NOTE: The simulation box size/shape can be changed by
arbitrarily large amounts by this command. This is not a problem, arbitrarily large amounts by this command. This is not a problem,

11
doc/change_box.txt
View File

@ -94,10 +94,13 @@ new owning processors.
IMPORTANT NOTE: It is possible to lose atoms with this command. IMPORTANT NOTE: It is possible to lose atoms with this command.
E.g. by changing the box without remapping the atoms, and having atoms E.g. by changing the box without remapping the atoms, and having atoms
end up outside of non-periodic boundaries. It is also possible when end up outside of non-periodic boundaries. It is also possible to
remapping atoms to put them (nearly) on top of each other which will alter bonds between atoms straddling a boundary in bad ways. E.g. by
lead to bad dynamics. E.g. by converting a boundary from non-periodic converting a boundary from periodic to non-periodic. It is also
to periodic. possible when remapping atoms to put them (nearly) on top of each
other. E.g. by converting a boundary from non-periodic to periodic.
All of these will typically generate error messages or lead to bad
dynamics.
IMPORTANT NOTE: The simulation box size/shape can be changed by IMPORTANT NOTE: The simulation box size/shape can be changed by
arbitrarily large amounts by this command. This is not a problem, arbitrarily large amounts by this command. This is not a problem,