Skip to content

Commit 89e8b46

Browse files
committed
Use existing index.rst
1 parent dc12979 commit 89e8b46

File tree

1 file changed

+40
-3
lines changed

1 file changed

+40
-3
lines changed

doc/source/index.rst

Lines changed: 40 additions & 3 deletions
Original file line numberDiff line numberDiff line change
@@ -4,21 +4,57 @@
44

55
.. |title| replace:: diffpy.structure documentation
66

7-
diffpy.structure - Crystal structure container and parsers for structure formats..
7+
diffpy.structure - Crystal structure container and parsers for structure formats.
88

99
| Software version |release|.
1010
| Last updated |today|.
1111
12+
The diffpy.structure package provides objects for storing atomic
13+
coordinates, displacement parameters and other crystal structure data.
14+
diffpy.structure supports import and export of structure data in several
15+
structure formats such as CIF, PDB, xyz. It provides conversion
16+
between fractional and absolute Cartesian coordinates, functions for
17+
symmetry expansion from asymmetric unit and generation of symmetry
18+
constraints for atom positions and displacement parameters. diffpy.structure
19+
includes definitions of all space groups in over 500 symmetry settings.
20+
1221
=======
1322
Authors
1423
=======
1524

16-
diffpy.structure is developed by Billinge Group
17-
and its community contributors.
25+
diffpy.structure is developed by members of the Billinge Group at
26+
Columbia University and at Brookhaven National Laboratory including
27+
Pavol Juhás, Christopher L. Farrow, Xiaohao Yang, Simon J.L. Billinge.
1828

1929
For a detailed list of contributors see
2030
https://github.com/diffpy/diffpy.structure/graphs/contributors.
2131

32+
Acknowledgments
33+
===============
34+
35+
Space group codes in *spacegroupmod.py* and *mmlibspacegroups.py*
36+
originate from the pymmlib project, http://pymmlib.sourceforge.net.
37+
Less common settings of space groups were generating using the
38+
Computational Crystallography Toolbox,
39+
http://cctbx.sourceforge.net.
40+
41+
42+
.. index:: citation, reference
43+
44+
Reference
45+
=========
46+
47+
If you use this program for a scientific research that leads
48+
to publication, we ask that you acknowledge use of the program
49+
by citing the following paper in your publication:
50+
51+
P. Juhás, C. L. Farrow, X. Yang, K. R. Knox and S. J. L. Billinge,
52+
`Complex modeling: a strategy and software program for combining
53+
multiple information sources to solve ill posed structure and
54+
nanostructure inverse problems
55+
<http://dx.doi.org/10.1107/S2053273315014473>`__,
56+
*Acta Crystallogr. A* **71**, 562-568 (2015).
57+
2258
============
2359
Installation
2460
============
@@ -29,6 +65,7 @@ file included with the distribution.
2965
=================
3066
Table of contents
3167
=================
68+
3269
.. toctree::
3370
:titlesonly:
3471

0 commit comments

Comments
 (0)