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Added optional numpy access to atom data

Authored by Richard Berger <richard.berger@temple.edu> on Sep 5 2017, 01:59.

Description

Added optional numpy access to atom data

The library interface was extended to provide direct access to atom data using
numpy arrays. No data copies are made and numpy operations directly manipulate
memory of the native code.

To keep this numpy dependency optional, all functions are wrapped into the
lammps.numpy sub-object which is only loaded when accessed.

Details

Committed
Richard Berger <richard.berger@temple.edu>Sep 5 2017, 01:59
Pushed
jungeOct 19 2017, 09:53
Parents
rLAMMPS6b2d321d1899: Add missing globals in library interface
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Event Timeline

Richard Berger <richard.berger@temple.edu> committed rLAMMPSbb3ee752e5e9: Added optional numpy access to atom data (authored by Richard Berger <richard.berger@temple.edu>).Sep 5 2017, 01:59