pyviblib.calc | index /usr/lib/python2.4/site-packages/pyviblib/calc/__init__.py |
This is the pyviblib.calc package.
The package is a collection of calculation routines used throughout the
pyviblib class library.
The following modules are exported :
common -- commonly used routines
qtrfit -- superimpose molecules using a quaternion fit
spectra -- Raman/ROA as well as IR/VCD spectra generation
vibrations -- handling vibrational motion
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__all__ = ['common', 'qtrfit', 'spectra', 'vibrations'] __author__ = 'Maxim Fedorovsky' |
Author | ||
Maxim Fedorovsky |