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Molecular dynamics by NMR data analysis

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Commit [r14958] Maximize Restore History

Eliminated one of the eigenframe parameters from the rotor frame order model.

In the rotor frame order model, the x and y axes of the eigenframe of the motion are not defined.
Therefore the 3 eigenframe Euler angles have been replaced by 2 spherical angles defining the
rotation axis. This removes a lot of optimisation issues with this model.

Authored by: bugman 2011-11-02

Browse code at this revision

Parent: [r14957]

Child: [r14959]

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changed	/1.3/test_suite/shared_data/frame_order/rotor2/tensors.py
changed	/1.3/test_suite/system_tests/frame_order.py
changed	/1.3/test_suite/system_tests/scripts/frame_order/model_calcs/rotor.py
changed	/1.3/test_suite/unit_tests/_maths_fns/test_frame_order_matrix_ops.py

/1.3/test_suite/shared_data/frame_order/rotor2/tensors.py Diff Switch to side-by-side view

/1.3/test_suite/system_tests/frame_order.py Diff Switch to side-by-side view

/1.3/test_suite/system_tests/scripts/frame_order/model_calcs/rotor.py Diff Switch to side-by-side view

/1.3/test_suite/unit_tests/_maths_fns/test_frame_order_matrix_ops.py Diff Switch to side-by-side view

<< < 1 2 (Page 2 of 2)