relax SVN archive

Molecular dynamics by NMR data analysis

Brought to you by: edauvergne, troelslinnet

Commit [r23429] Maximize Restore History

Small speed up for the frame order target functions for most models.

The rotation matrix corresponding to each Sobol' point for the numerical integration is now
pre-calculated during target function initialisation rather than once for each function call.

Authored by: bugman 2014-05-26

Browse code at this revision

Parent: [r23428]

Child: [r23430]

changed	/branches/frame_order_cleanup/lib/frame_order/double_rotor.py
changed	/branches/frame_order_cleanup/lib/frame_order/iso_cone.py
changed	/branches/frame_order_cleanup/lib/frame_order/iso_cone_torsionless.py
changed	/branches/frame_order_cleanup/lib/frame_order/matrix_ops.py
changed	/branches/frame_order_cleanup/lib/frame_order/pseudo_ellipse.py
changed	/branches/frame_order_cleanup/lib/frame_order/pseudo_ellipse_torsionless.py
changed	/branches/frame_order_cleanup/lib/frame_order/rotor.py
changed	/branches/frame_order_cleanup/target_functions/frame_order.py

relax SVN archive

Molecular dynamics by NMR data analysis

Commit [r23429] Maximize Restore History

/branches/frame_order_cleanup/lib/frame_order/double_rotor.py Diff Switch to side-by-side view

/branches/frame_order_cleanup/lib/frame_order/iso_cone.py Diff Switch to side-by-side view

/branches/frame_order_cleanup/lib/frame_order/iso_cone_torsionless.py Diff Switch to side-by-side view

/branches/frame_order_cleanup/lib/frame_order/matrix_ops.py Diff Switch to side-by-side view

/branches/frame_order_cleanup/lib/frame_order/pseudo_ellipse.py Diff Switch to side-by-side view

/branches/frame_order_cleanup/lib/frame_order/pseudo_ellipse_torsionless.py Diff Switch to side-by-side view

/branches/frame_order_cleanup/lib/frame_order/rotor.py Diff Switch to side-by-side view

/branches/frame_order_cleanup/target_functions/frame_order.py Diff Switch to side-by-side view