r28221 - /trunk/test_suite/system_tests/structure.py

Author: bugman Date: Thu Jun 2 19:09:36 2016 New Revision: 28221 URL: http://svn.gna.org/viewcvs/relax?rev=28221=rev Log: 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. Modified:

r28223 - in /trunk: lib/structure/statistics.py test_suite/system_tests/structure.py

Author: bugman Date: Thu Jun 2 19:09:40 2016 New Revision: 28223 URL: http://svn.gna.org/viewcvs/relax?rev=28223=rev Log: 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

r28222 - in /trunk: lib/structure/statistics.py pipe_control/structure/main.py

Author: bugman Date: Thu Jun 2 19:09:39 2016 New Revision: 28222 URL: http://svn.gna.org/viewcvs/relax?rev=28222=rev Log: Implemented the per-atom RMSD calculation for the structure.rmsd user function. Modified: trunk/lib/structure/statistics.py trunk/pipe_control/structure/main.py

r28220 - /trunk/user_functions/structure.py

Author: bugman Date: Thu Jun 2 19:09:34 2016 New Revision: 28220 URL: http://svn.gna.org/viewcvs/relax?rev=28220=rev Log: 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. Modified: