File tree Expand file tree Collapse file tree 1 file changed +17
-0
lines changed
Expand file tree Collapse file tree 1 file changed +17
-0
lines changed Original file line number Diff line number Diff line change @@ -63,6 +63,23 @@ obtain the total cost function. Additionally, diffpy.srfit is designed to be
6363extensible, allowing the user to integrate external calculators to perform
6464co-refinements with other techniques.
6565
66+
67+ SrFit has tools for coherently combining known information about a
68+ material to derive other properties, in particular material structure.
69+ SrFit allows the customization and creation of structure
70+ representations, profile calculators, constraints, restraints and file
71+ input parsers. The customized pieces can be glued together within SrFit
72+ to optimize a structure, or other physically relevant information from
73+ one or more experimental profiles. Other known information about the
74+ system of interest can be included with arbitrarily complex constraints
75+ and restraints. In this way, the end user creates a customized fitting
76+ application that suits the problem to the available information.
77+
78+ The subpackages herein define various pieces of the SrFit framework.
79+ Developers are encouraged to work through the examples described in the
80+ documentation to learn how to use and customize the various parts of
81+ SrFit.
82+
6683For more information about the diffpy.srfit library, please consult our `online documentation <https://diffpy.github.io/diffpy.srfit >`_.
6784
6885Citation
You can’t perform that action at this time.
0 commit comments