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another doc tweak for 2d

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Steve Plimpton
2023-11-16 16:37:43 -07:00
parent 4057ee3d62
commit 4ccd59af80
1 changed files with 7 additions and 6 deletions
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13
doc/src/lattice.rst
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@ -129,12 +129,13 @@ 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, can specify them to be of any length and non-orthogonal to each other,
so that they describe a tilted parallelepiped. Via the *basis* so that they describe a tilted parallelepiped. Via the *basis*
keyword you add atoms, one at a time, to the unit cell. Its arguments keyword you add atoms, one at a time, to the unit cell. Its arguments
are fractional coordinates (0.0 <= x,y,z < 1.0). The position vector are fractional coordinates (0.0 <= x,y,z < 1.0). For 2d simulations,
x of a basis atom within the unit cell is thus a linear combination of the fractional z coordinate for any basis atom must be 0.0.
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. For 2d The position vector x of a basis atom within the unit cell is a linear
simulations, the fractional z coordinate for any basis atom must be combination of the unit cell's 3 edge vectors, i.e. x = bx a1 + by
0.0. a2 + bz a3, where bx,by,bz are the 3 values specified for the *basis*
keyword.
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