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Add page on neighbor definition
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rosswhitfield committed Sep 22, 2017
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5 changes: 5 additions & 0 deletions docs/images/README.md
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To create svg from fig:

```
fig2dev -L svg src/neighbors.fig neighbors.svg
```
257 changes: 257 additions & 0 deletions docs/images/neighbors.svg
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85 changes: 85 additions & 0 deletions docs/images/src/neighbors.fig
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1 change: 1 addition & 0 deletions docs/tutorials.rst
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Expand Up @@ -8,3 +8,4 @@ Tutorials
tutorials/discus
tutorials/ase
tutorials/diffpy
tutorials/neighbors
29 changes: 29 additions & 0 deletions docs/tutorials/neighbors.rst
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==================================
Neighbors definition in Javelin
==================================

.. image:: ../images/neighbors.svg

The neighbors above are created in javelin by (starting at 12 o'clock
and working clockwise):

>>> 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

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