Commit | Date | |
---|---|---|
[r17004]
by
bugman
The return_spin_from_selection() function now lists all matching spins in RelaxMultiSpinIDError. |
2012-06-20 12:16:38 | Tree |
[r17003]
by
bugman
Fix for the return_spin_from_selection() function for a bug introduced in the last commit. |
2012-06-20 12:05:04 | Tree |
[r17002]
by
bugman
The return_spin() and return_spin_from_selection() functions can now handle multiple spins. It the 'multi' flag is supplied, then lists of spins (and associated data) will be returned, rather |
2012-06-20 12:00:55 | Tree |
[r17001]
by
bugman
Created the list_to_text() RelaxError system function for prettifying the output of RelaxMultiSpinIDError. |
2012-06-20 11:35:46 | Tree |
[r17000]
by
bugman
Expanded RelaxMultiSpinIDError to be able to print out a list of all the matching spin Ids. |
2012-06-20 09:26:25 | Tree |
2012-06-20 09:20:13 | Tree | |
2012-06-20 09:19:32 | Tree | |
[r16997]
by
bugman
Improvements for the MoleculeContainer backwards compatibility hook for the creation of proton spins. The proton element and isotope type is now set to 'H' and '1H' respectively. This now means that |
2012-06-20 09:13:14 | Tree |
[r16996]
by
bugman
Conversion of most of the model-free system tests to the interatomic data design. |
2012-06-20 00:13:33 | Tree |
[r16995]
by
bugman
Eliminated the RelaxProtonTypeError error and changed the RelaxSpinTypeError message. |
2012-06-19 23:51:48 | Tree |