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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
View File

@ -102,10 +102,13 @@ new owning processors.
</P>
<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
end up outside of non-periodic boundaries. It is also possible when
remapping atoms to put them (nearly) on top of each other which will
lead to bad dynamics. E.g. by converting a boundary from non-periodic
to periodic.
end up outside of non-periodic boundaries. It is also possible to
alter bonds between atoms straddling a boundary in bad ways. E.g. by
converting a boundary from periodic to non-periodic. It is also
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>IMPORTANT NOTE: The simulation box size/shape can be changed by
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.
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
remapping atoms to put them (nearly) on top of each other which will
lead to bad dynamics. E.g. by converting a boundary from non-periodic
to periodic.
end up outside of non-periodic boundaries. It is also possible to
alter bonds between atoms straddling a boundary in bad ways. E.g. by
converting a boundary from periodic to non-periodic. It is also
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
arbitrarily large amounts by this command. This is not a problem,