22diffpy.structure documentation
33########################################################################
44
5- Software version |release |.
6-
7- Last updated |today |.
8-
95diffpy.structure - simple storage and manipulation of crystal structures
106
7+ | Software version |release|.
8+ | Last updated |today|.
9+
1110The diffpy.structure package provides objects for storing atomic
1211coordinates, displacement parameters and other crystal structure data.
1312diffpy.structure supports import and export of structure data in several
@@ -18,6 +17,44 @@ constraints for atom positions and displacement parameters. diffpy.structure
1817includes definitions of all space groups in over 500 symmetry settings.
1918
2019
20+ Authors
21+ ========================================================================
22+
23+ diffpy.structure is developed by members of the Billinge Group at
24+ Columbia University and at Brookhaven National Laboratory including
25+ Pavol Juhás, Christopher L. Farrow, Xiaohao Yang, Simon J.L. Billinge.
26+
27+ For a detailed list of contributors see
28+ https://github.com/diffpy/diffpy.structure/graphs/contributors.
29+
30+
31+ Acknowledgments
32+ ========================================================================
33+
34+ Space group codes in *spacegroupmod.py * and *mmlibspacegroups.py *
35+ originate from the pymmlib project, http://pymmlib.sourceforge.net.
36+ Less common settings of space groups were generating using the
37+ Computational Crystallography Toolbox,
38+ http://cctbx.sourceforge.net.
39+
40+
41+ .. index :: citation, reference
42+
43+ Reference
44+ ========================================================================
45+
46+ If you use this program for a scientific research that leads
47+ to publication, we ask that you acknowledge use of the program
48+ by citing the following paper in your publication:
49+
50+ P. Juhás, C. L. Farrow, X. Yang, K. R. Knox and S. J. L. Billinge,
51+ `Complex modeling: a strategy and software program for combining
52+ multiple information sources to solve ill posed structure and
53+ nanostructure inverse problems
54+ <http://dx.doi.org/10.1107/S2053273315014473> `__,
55+ *Acta Crystallogr. A * **71 **, 562-568 (2015).
56+
57+
2158Package contents
2259========================================================================
2360
@@ -77,44 +114,6 @@ Submodules
77114----
78115
79116
80- Authors
81- ========================================================================
82-
83- diffpy.structure is developed by members of the Billinge Group at
84- Columbia University and at Brookhaven National Laboratory including
85- Pavol Juhás, Christopher L. Farrow, Xiaohao Yang, Simon J.L. Billinge.
86-
87- For a detailed list of contributors see
88- https://github.com/diffpy/diffpy.structure/graphs/contributors.
89-
90-
91- Acknowledgments
92- ========================================================================
93-
94- Space group codes in *spacegroupmod.py * and *mmlibspacegroups.py *
95- originate from the pymmlib project, http://pymmlib.sourceforge.net.
96- Less common settings of space groups were generating using the
97- Computational Crystallography Toolbox,
98- http://cctbx.sourceforge.net.
99-
100-
101- .. index :: citation, reference
102-
103- Reference
104- ========================================================================
105-
106- If you use this program for a scientific research that leads
107- to publication, we ask that you acknowledge use of the program
108- by citing the following paper in your publication:
109-
110- P. Juhás, C. L. Farrow, X. Yang, K. R. Knox and S. J. L. Billinge,
111- `Complex modeling: a strategy and software program for combining
112- multiple information sources to solve ill posed structure and
113- nanostructure inverse problems
114- <http://dx.doi.org/10.1107/S2053273315014473> `__,
115- *Acta Crystallogr. A * **71 **, 562-568 (2015).
116-
117-
118117
119118.. index :: license
120119
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