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Commit Date  
[r28223] by bugman

Fix for bug #24723 (https://gna.org/bugs/?24723).

This is the bug that the mean RMSD from the structure.rmsd user function is incorrectly
calculated - it should be a quadratic mean.

The quadratic mean and quadratic standard deviation are now correctly calculated, and the
structure.test_rmsd, structure.test_rmsd_molecules, and structure.test_rmsd_ubi system tests have
been updated for the fix.

2016-06-02 17:09:40 Tree
[r28222] by bugman

Implemented the per-atom RMSD calculation for the structure.rmsd user function.

2016-06-02 17:09:39 Tree
[r28221] by bugman

Created the Structure.test_rmsd_spins system test for checking the per-atom RMSD calculation.

This is for the new option in the structure.rmsd user function.

2016-06-02 17:09:36 Tree
[r28220] by bugman

Addition of the atomic boolean argument to the structure.rmsd user function front end.

This will be used to enable the calculation of per-atom RMSDs.

2016-06-02 17:09:34 Tree
[r28219] by bugman

Small edits for the CHANGES file.

2016-05-13 17:11:54 Tree
[r28218] by bugman

Updated the relax version number to 4.0.2 on the http://www.nmr-relax.com/api/index.html webpage.

2016-05-13 15:44:47 Tree
[r28217] by bugman

Updated the relax API documentation at http://www.nmr-relax.com/api/4.0/ to version 4.0.2.

2016-05-13 15:34:28 Tree
[r28216] by bugman

Added some more user function renaming redirects.

2016-05-13 15:29:16 Tree
[r28215] by bugman

Updated the relax HTML manual at http://www.nmr-relax.com/manual/index.html to version 4.0.2.

2016-05-13 15:28:07 Tree
[r28214] by bugman

Updated the http://www.nmr-relax.com/download.html webpage for the relax 4.0.2 release.

2016-05-13 15:22:43 Tree
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