Relax 4.0.0 - Revision history

Bugman: /* Links */ Fix the broken Gna! forum link by switching to {{gna link}}.

2020-10-08T20:40:36Z

Links: Fix the broken Gna! forum link by switching to {{gna link}}.

Bugman: /* Changes */Minfx link fix.

2020-10-06T21:28:48Z

Changes: Minfx link fix.

Bugman: Fix for the category.

2015-12-16T13:05:41Z

Fix for the category.

Bugman: Used the unicode ᛞ symbol for the frame order matrix.

2015-12-15T13:55:45Z

Used the unicode ᛞ symbol for the frame order matrix.

Bugman: Added the link to relax 4.0.1 to the infobox.

2015-12-14T17:47:49Z

Added the link to relax 4.0.1 to the infobox.

Bugman: Added the 'manual' parameter to {{infobox relax release}}.

2015-10-22T13:50:07Z

Added the 'manual' parameter to {{infobox relax release}}.

Bugman: Increased the sectioning depth.

2015-10-21T20:33:21Z

Increased the sectioning depth.

Bugman: Added a keyword.

2015-10-21T20:30:51Z

Added a keyword.

Bugman: Infobox renaming fix.

2015-10-21T16:49:11Z

Infobox renaming fix.

Bugman: Added the 'type' parameter to the infobox.

2015-10-21T15:33:59Z

Added the 'type' parameter to the infobox.

@@ Line 810: / Line 810: @@
 * [http://wiki.nmr-relax.com/Relax_4.0.0 Official release notes on the relax wiki].
-* [https://gna.org/forum/forum.php?forum_id=2514 Gna! news item].
+* {{gna link|url=gna.org/forum/forum.php?forum_id=2514|text=Gna! news item}}.
 * [http://article.gmane.org/gmane.science.nmr.relax.announce/68 Gmane mailing list archive].
 * [https://mail.gna.org/public/relax-announce/2015-10/msg00001.html Local archives].

@@ Line 48: / Line 48: @@
 * Updated the CaM frame order test model superimposition script.  The [http://www.nmr-relax.com/manual/structure_superimpose.html structure.superimpose user function] is now correctly called.  The output log file has been added to the repository as it contains the correct translation and Euler rotation information needed for the test models.
 * Parameter update for the isotropic cone CaM frame order test model optimisation script.  The Euler angles for the rotation about the motional pivot have been replaced by the translation vector and Euler angle CoM rotation parameters.
-* Fix for a number of the frame order models which do not have parameter constraints.  The [http://www.nmr-relax.com/api/4.0/specific_analyses.frame_order.parameters-module.html#linear_constraints linear_constraint() function] was returning A, b = [], [] for these models, but these empty numpy arrays were causing the [https://gna.org/projects/minfx/ minfx library] to fail.  These values are now caught and the constraint algorithm turned off in the [http://www.nmr-relax.com/api/4.0/specific_analyses.frame_order.api.Frame_order-class.html#minimise minimise() specific API method].
+* Fix for a number of the frame order models which do not have parameter constraints.  The [http://www.nmr-relax.com/api/4.0/specific_analyses.frame_order.parameters-module.html#linear_constraints linear_constraint() function] was returning A, b = [], [] for these models, but these empty numpy arrays were causing the [{{minfx homepage}} minfx library] to fail.  These values are now caught and the constraint algorithm turned off in the [http://www.nmr-relax.com/api/4.0/specific_analyses.frame_order.api.Frame_order-class.html#minimise minimise() specific API method].
 * Increased the precision of all the data in the CaM frame order test data generation base script.  These have all been converted from float16 to float64 numpy types.
 * Fix for the RDC error setting in the CaM frame order test data generation base script.  The rdc_err data structure is located in the interatomic data containers, no the spin containers.

@@ Line 827: / Line 827: @@
 * [http://www.nmr-relax.com/api/4.0/ The relax 4.0 API documentation]
 {{:relax release see also}}
-[[Category:Relaxation dispersion analysis]]
+[[Category:Frame order analysis]]

@@ Line 614: / Line 614: @@
 * Created the Grace graphs for the double rotor model 1<sup>st</sup> degree frame order matrix.  These are the values calculated directly from the [http://www.nmr-relax.com/api/4.0/lib.frame_order-module.html lib.frame_order modules].  The graphs were previously all zeros.
 * Recreated all of the simulated pseudo-ellipse frame order matrix element graphs.  These are now in the Kronecker product notation so that they will match the graphs calculated using the [http://www.nmr-relax.com/api/4.0/lib.frame_order.pseudo_ellipse-module.html relax lib.frame_order.pseudo_ellipse module].
-* Fix for the [http://www.nmr-relax.com/api/4.0/lib.frame_order.pseudo_ellipse-module.html#part_int_daeg1_pseudo_ellipse_22 pseudo-ellipse 1<sup>st</sup> degree frame order matrix Daeg22 element].
+* Fix for the [http://www.nmr-relax.com/api/4.0/lib.frame_order.pseudo_ellipse-module.html#part_int_daeg1_pseudo_ellipse_22 pseudo-ellipse 1<sup>st</sup> degree frame order matrix ᛞ<sub>22</sub> element].
 * Updated all of the pseudo-ellipse 1<sup>st</sup> degree frame order matrix graphs for the recent fix.
 * Converted the Sobol' rotation matrices to float32 in the frame order target function.  This is to conserve huge amounts of memory to allow for more Sobol' points to be used.  For example for the models which use 3D Sobol' points (isotropic cone and pseudo-ellipse), a maximum of 50000 Sobol' points requires 50000000 to be created, using about 15 Gb of RAM.

@@ Line 4: / Line 4: @@
 | version  = 4.0.0
 | prev     = 3.3.9
 | keywords = Frame order theory
 | type     = Major feature

@@ Line 7: / Line 7: @@
 | type     = Major feature
 | date     = 7 October 2015
 }}

@@ Line 9: / Line 9: @@
 }}
-= Description =
+== Description ==
 <section begin=description/>
@@ Line 15: / Line 15: @@
 <section end=description/>
-= Download =
+== Download ==
 <section begin=download/>
@@ Line 21: / Line 21: @@
 <section end=download/>
-= CHANGES file =
+== CHANGES file ==
 <section begin=metadata/>
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 <section end=metadata/>
-== Features ==
+=== Features ===
 <section begin=features/>
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 <section end=features/>
-== Changes ==
+=== Changes ===
 <section begin=changes/>
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 <section end=changes/>
-== Bugfixes ==
+=== Bugfixes ===
 <section begin=bugfixes/>
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 <section end=bugfixes/>
-= Links =
+== Links ==
 <section begin=links/>
@@ Line 816: / Line 816: @@
 <section end=links/>
-= Announcements =
+== Announcements ==
 {{:relax release announcements}}
-= See also =
+== See also ==
 * [http://www.nmr-relax.com/api/4.0/ The relax 4.0 API documentation]
 {{:relax release see also}}
 [[Category:Relaxation dispersion analysis]]

@@ Line 1: / Line 1: @@
 {{lowercase title}}
-{{relax release infobox
+{{infobox relax release
 | version = 4.0.0
 | prev    = 3.3.9