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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11583 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp 2014-03-04 15:57:40 +00:00
parent 91e6590891
commit d3ad808702
2 changed files with 8 additions and 4 deletions
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6
doc/lattice.html
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@ -121,8 +121,10 @@ and a3 are 3 orthogonal unit vectors (edges of a unit cube). But you
can specify them to be of any length and non-orthogonal to each other,
so that they describe a tilted parallelepiped. Via the <I>basis</I>
keyword you add atoms, one at a time, to the unit cell. Its arguments
are fractional coordinates (0.0 <= x,y,z < 1.0), so that a value of
0.5 means a position half-way across the unit cell in that dimension.
are fractional coordinates (0.0 <= x,y,z < 1.0). The position vector
x of a basis atom within the unit cell is thus a linear combination of
the the unit cell's 3 edge vectors, i.e. x = bx a1 + by a2 + bz a3,
where bx,by,bz are the 3 values specified for the <I>basis</I> keyword.
</P>
<HR>

6
doc/lattice.txt
View File

@ -113,8 +113,10 @@ and a3 are 3 orthogonal unit vectors (edges of a unit cube). But you
can specify them to be of any length and non-orthogonal to each other,
so that they describe a tilted parallelepiped. Via the {basis}
keyword you add atoms, one at a time, to the unit cell. Its arguments
are fractional coordinates (0.0 <= x,y,z < 1.0), so that a value of
0.5 means a position half-way across the unit cell in that dimension.
are fractional coordinates (0.0 <= x,y,z < 1.0). The position vector
x of a basis atom within the unit cell is thus a linear combination of
the the unit cell's 3 edge vectors, i.e. x = bx a1 + by a2 + bz a3,
where bx,by,bz are the 3 values specified for the {basis} keyword.
:line