Commit | Date | |
---|---|---|
[r16948]
by
bugman
Expanded the RelaxNoValueError to handle one or two spin IDs as arguments. This is to better identify which spins or interatomic data containers are deficient. |
2012-06-19 09:22:16 | Tree |
[r16947]
by
bugman
Changed the dauvergne_protocol.py system test script value.set calls with spin.isotope. The nuclear isotope is now defined via spin.isotope. |
2012-06-19 09:10:47 | Tree |
[r16946]
by
bugman
Eliminated a number of the specific API parameters relating to dipole-dipole interactions. These are now provided by the spin.isotope user function and the dipole_pair user functions. The |
2012-06-19 09:01:47 | Tree |
[r16945]
by
bugman
Created the spin.isotope user function. This is designed to be a permanent replacement for the specific analysis API 'heteronuc_type' and |
2012-06-19 08:54:07 | Tree |
2012-06-19 08:49:24 | Tree | |
2012-06-19 08:48:23 | Tree | |
[r16942]
by
bugman
Deletion of the structure.vectors user function as it has been superseded by dipole_pair.unit_vectors. Only the user function definition has deleted - the backend code will remain so that it can be used |
2012-06-19 08:03:29 | Tree |
[r16941]
by
bugman
Implemented the dipole_pair.unit_vectors user function backend. This code originates from the generic_fns.structure.main.vectors() function (the structure.vectors |
2012-06-18 18:34:12 | Tree |
[r16940]
by
bugman
Fixed the call to dipole_pair.unit_vectors in the dauvergne_protocol.py system test script. |
2012-06-18 16:21:06 | Tree |
2012-06-18 16:19:51 | Tree |