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SVN archive Commit Log


Commit Date  
[r28233] by tlinnet

Make new filename for script.

2016-09-30 22:59:50 Tree
[r28232] by tlinnet

Adding deploy script for rhel-6.

2016-09-30 22:58:31 Tree
[r28231] by tlinnet

Made small change to variable printout.

2016-09-30 22:24:20 Tree
[r28230] by tlinnet

Moving fedora to redhat.

Google Cloud does not offer fedora images.

2016-09-30 20:25:26 Tree
[r28229] by tlinnet

Copying deployment script of Ubunto to a Fedora version.

This is a response to bug 25084 (https://gna.org/bugs/?25084).

2016-09-30 20:02:31 Tree
[r28228] by bugman

Removed a debugging printout statement.

2016-08-11 17:16:23 Tree
[r28227] by bugman

Removed a debugging statement introduced at r28204 which breaks Python3 support.

2016-08-11 14:56:55 Tree
[r28226] by bugman

Huge speed up for the superimposition of a large number of structures.

The internal structural object validate_models() method was being called once for each structure
via the selection() method prior performing the translations, and once prior to performing the
rotations, for creating the atomic selection object. This resulted in the _translate() internal
structural object method, which converts all input data to formatted strings, being called hundreds
of millions of times. Therefore selection() method no longer calls validate_models().

This may speed up quite a number of internal structure object methods when large numbers of
structures are present.

2016-06-07 15:27:04 Tree
[r28225] by bugman

Fixes for the Relax_fit.test_inversion_recovery system test.

The wrong equation was used in the calc.py Python script used to calculate the peak intensities in
the test_suite/shared_data/curve_fitting/inversion_recovery/*.list files. The script and Sparky
files have been updated. And the I0 value in the script and system test has been changed from 30 to
-30, so that the curves start as negative.

2016-06-03 09:03:56 Tree
[r28224] by bugman

Bug fix for the inversion recovery equations (sr #3345).

The inversion recovery experiment was incorrectly implemented as I(t) = Iinf - I0 * exp(-R1 * t)
whereas it should be I(t) = Iinf - (Iinf - I0) * exp(-R1 * t).

2016-06-03 09:03:54 Tree
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