Commit | Date | |
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[r27721]
by
bugman
Added the new 'atom_id' argument to the frame_order.distribute user function. This uses the new inverse selection functionality recently introduced into the trunk to delete all |
2015-02-25 13:16:04 | Tree |
[r27720]
by
bugman
Merged revisions 27717-27719 via svnmerge from ........ |
2015-02-25 13:00:53 | Tree |
[r27719]
by
bugman
Implemented the new 'inv' argument for the selection() structural object method. This allows for all atoms not matching the atom ID string to be selected. The unit tests for this |
2015-02-25 12:58:45 | Tree |
[r27718]
by
bugman
Created a series of unit tests for implementing a new internal structural object feature. These tests check a new 'inv' argument for the selection() structural object method for allowing all |
2015-02-25 12:46:35 | Tree |
[r27717]
by
bugman
Improvement for a RelaxError message when assembling structural data but no coordinates can be found. |
2015-02-24 11:08:43 | Tree |
[r27716]
by
bugman
Merged revisions 27707-27714 via svnmerge from ........ |
2015-02-24 08:35:17 | Tree |
[r27715]
by
bugman
Fix of a fatal bug preventing the frame order analysis to be run on a multi-processor system. The multi-processor code was calling the count_sobol_points() function of the |
2015-02-24 08:34:36 | Tree |
[r27714]
by
bugman
Fix for a RelaxError message from the internal structural object when validating models. |
2015-02-23 10:50:54 | Tree |
[r27713]
by
bugman
Fix for the internal structural object unit test Test_object.test_add_atom_sort. This test of the _lib._structure._internal.test_object unit test module now requires the sort |
2015-02-23 10:49:05 | Tree |
[r27712]
by
bugman
Large speed up of the structure.web_of_motion user function. With the introduction of the _sort() internal structural object method and it being called by the |
2015-02-23 09:06:59 | Tree |