Commit | Date | |
---|---|---|
[r8583]
by
bugman
Updated all the files in maths_fns/ to the 1.2.10 branched ellipsoidal CS tensor code. This code comes from Pavel Kaderavek <kada att chemi dot muni dot cz> and is located at The 'mf_csa.py' file has been excluded for now. |
2009-01-22 13:15:02 | Tree |
[r8582]
by
bugman
Added all the files, by 'svn cp', needed for the 1.2.10 branched ellipsoidal CS tensor code. This is guessing the origin of files in https://www.ncbr.chemi.muni.cz/~kada/relax-1.2.10_cst.tar. |
2009-01-22 13:11:24 | Tree |
[r8581]
by
bugman
Created a branch for incorporating the ellipsoidal CS tensor code from Pavel and Petr. This branch will incorporate the code linked at: |
2009-01-22 12:26:43 | Tree |
[r8580]
by
bugman
Fixes for the system test catching Tyler Reddy's bug report at https://gna.org/bugs/?12487. |
2009-01-22 10:28:02 | Tree |
[r8579]
by
bugman
Fix for the call to generic_fns.structure.main.read_pdb() in __load_structure(). This fixes the loading of relax 1.2 results files. |
2009-01-22 10:22:53 | Tree |
[r8578]
by
bugman
Fix for the calls to structure.load_spins(). The combine_models flag has to be set to False, to prevent the atom position from being averaged. |
2009-01-22 09:54:23 | Tree |
[r8577]
by
bugman
Fix for the call to structure.read_pdb() in the lactose N-state model system test. The molecule name must be explicitly set so that the same molecule in different models has the same |
2009-01-22 09:52:56 | Tree |
2009-01-22 09:44:36 | Tree | |
2009-01-22 09:28:55 | Tree | |
[r8574]
by
bugman
Fixes for the lactose N-state model system test. The structures from different PDB files are now being sent to different models. |
2009-01-22 09:26:14 | Tree |