Crystal Ball Plus is a small piece of software that has been created to help predicting a crystal structure from its diffraction pattern.
Stefano Mazzucco
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README
Crystalball Plus - 2011
If you find this software useful, you are kindly asked to acknowledge its
creator Dr Stefano Mazzucco, Dr Mihaela Tanase and Dr Renu Sharma, the Center
for Nanoscale Science and Technology (CNST) at the National Institute of
Standards and Technology (NIST), and the Institute for Research in Electronics
and Applied Physics (IREAP) at the University of Maryland.
License: GNU GPL version 3
For licensing information, see the LICENSE file.
DESCRIPTION:
Crystal Ball Plus is a collection of utilities written in Python
to help making predictions on crystal structures.
Incidentally, a "crystal ball" python is also an albino snake.
Characteristics:
*) Simple GUI.
*) Perform basic direct and reciprocal space operations using linear algebra.
*) Read crystal structure from text files (custom '.dfg' format).
*) Read multiple 'input' and 'reference' files and compare them.
*) MillerPlane class.
*) Diffractogram class.
*) Generate text reports.
DOCUMENTATION:
Documentation is in the doc package and can be built with sphinx.
Some markdown documentation is stored in doc/wiki.
If you find this software useful, you are kindly asked to acknowledge its
creator Dr Stefano Mazzucco, Dr Mihaela Tanase and Dr Renu Sharma, the Center
for Nanoscale Science and Technology (CNST) at the National Institute of
Standards and Technology (NIST), and the Institute for Research in Electronics
and Applied Physics (IREAP) at the University of Maryland.
License: GNU GPL version 3
For licensing information, see the LICENSE file.
DESCRIPTION:
Crystal Ball Plus is a collection of utilities written in Python
to help making predictions on crystal structures.
Incidentally, a "crystal ball" python is also an albino snake.
Characteristics:
*) Simple GUI.
*) Perform basic direct and reciprocal space operations using linear algebra.
*) Read crystal structure from text files (custom '.dfg' format).
*) Read multiple 'input' and 'reference' files and compare them.
*) MillerPlane class.
*) Diffractogram class.
*) Generate text reports.
DOCUMENTATION:
Documentation is in the doc package and can be built with sphinx.
Some markdown documentation is stored in doc/wiki.