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updated ROG IJob docstring
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ChiCheng45 committed Apr 4, 2024
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8 changes: 5 additions & 3 deletions MDANSE/Src/MDANSE/Framework/Jobs/RadiusOfGyration.py
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class RadiusOfGyration(IJob):
"""
Radius Of Gyration (ROG) is a measure of the size of an object,
a surface, or an ensemble of points. It is calculated as the Root Mean Square Distance between
the system and a reference which, in MDANSE, is the centre of gravity of the system.
The Radius of Gyration can be used, for example, to determine the
compactness of a molecule. It is calculated as a root (mass weighted)
mean square distance of the atoms of a molecule relative to its
centre of mass. ROG can be used to follow the size and spread of
a molecule during the molecular dynamics simulation.
"""

label = "Radius of Gyration"
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