Commit | Date | |
---|---|---|
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 |
[r16994]
by
bugman
Bug fix for the dipole_pair.define user function when structural data is missing. |
2012-06-19 23:47:08 | Tree |
2012-06-19 23:34:16 | Tree | |
[r16992]
by
bugman
Bug fix for the relax_data.copy user function - it can now handle spins without relaxation data. |
2012-06-19 23:33:02 | Tree |
2012-06-19 23:27:01 | Tree | |
[r16990]
by
bugman
Fix for the dipole_pair.define user function for when no structural data is present. |
2012-06-19 23:12:31 | Tree |
[r16989]
by
bugman
The sequence.attach_protons user function now sets the proton element and isotope types. This reduces the amount of work required from the user. |
2012-06-19 23:00:48 | Tree |