Changes between Initial Version and Version 1 of Ticket #789, comment 3


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Timestamp:
Aug 14, 2017, 5:52:31 AM (8 years ago)
Author:
Tristan Croll

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  • Ticket #789, comment 3

    initial v1  
    33    self.atoms.radii = self.atoms.default_radii
    44
    5 to Structure.__init__(). The C++ function only resorts to the default calculation every time if the radii are never actually set. After that, the atoms.radii call comes down from 10 to 1.5ms for 184k atoms.
     5to `Structure.__init__()`. The C++ function only resorts to the default calculation every time if the radii are never actually set. After that, the atoms.radii call comes down from 10 to 1.5ms for 184k atoms.