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To create svg from fig: | ||
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``` | ||
fig2dev -L svg src/neighbors.fig neighbors.svg | ||
``` |
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#FIG 3.2 Produced by xfig version 3.2.6 | ||
Landscape | ||
Center | ||
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100.00 | ||
Single | ||
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@@ -8,3 +8,4 @@ Tutorials | |
tutorials/discus | ||
tutorials/ase | ||
tutorials/diffpy | ||
tutorials/neighbors |
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================================== | ||
Neighbors definition in Javelin | ||
================================== | ||
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.. image:: ../images/neighbors.svg | ||
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The neighbors above are created in javelin by (starting at 12 o'clock | ||
and working clockwise): | ||
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>>> from javelin.neighborlist import NeighborList | ||
>>> nl = NeighborList([[0, 0, 0, 2, 0], | ||
... [0, 1, 0, 0, 0], | ||
... [0, 0, 1, 0, 0], | ||
... [0, 0, 2,-1, 0], | ||
... [0, 1,-2,-1, 0]]) | ||
>>> nl | ||
NeighborList([[ 0 0 0 2 0] | ||
[ 0 1 0 0 0] | ||
[ 0 0 1 0 0] | ||
[ 0 0 2 -1 0] | ||
[ 0 1 -2 -1 0]]) | ||
>>> print(nl) | ||
| site | vector | ||
index | origin target | i j k | ||
0 | 0 0 | 0 2 0 | ||
1 | 0 1 | 0 0 0 | ||
2 | 0 0 | 1 0 0 | ||
3 | 0 0 | 2 -1 0 | ||
4 | 0 1 | -2 -1 0 |