Menu

Commit [r24090]  Maximize  Restore  History

Support for the 3 vector system for double motions has been added to the frame order analysis.

This is used for the quasi-random Sobol' numeric integration of the PCS. The lanthanide to atom
vector is the sum of three parts: the 1st pivot to atom vector rotated by the 1st mode of motion;
the 2nd pivot to 1st pivot vector rotated by the 2nd mode of motion (together with the rotated 1st
pivot to atom vectors); and the lanthanide to second pivot vector.

All these vectors are passed into the lib.frame_order.double_rotor.pcs_numeric_int_double_rotor()
function, which passes them to the pcs_pivot_motion_double_rotor() function where they are rotated
and reconstructed into the Ln3+ to atom vectors.

bugman 2014-06-18

changed /branches/frame_order_cleanup/lib/frame_order/double_rotor.py
changed /branches/frame_order_cleanup/target_functions/frame_order.py
/branches/frame_order_cleanup/lib/frame_order/double_rotor.py Diff Switch to side-by-side view
Loading...
/branches/frame_order_cleanup/target_functions/frame_order.py Diff Switch to side-by-side view
Loading...
Want the latest updates on software, tech news, and AI?
Get latest updates about software, tech news, and AI from SourceForge directly in your inbox once a month.