Commit | Date | |
---|---|---|
[r8499]
by
bugman
Started to redesign add_struct() to remove the struct_index arg and convert to the new model design. The API base class function get_model() has been added to return or create the desired model. The |
2009-01-16 16:49:01 | Tree |
[r8498]
by
bugman
Support for models vs. molecules and the elimination of struct_index in bond_vectors(). |
2009-01-16 15:57:01 | Tree |
[r8497]
by
bugman
Fix for the struct_index arg unit test of structure.vectors(). The arg is now called 'model'. |
2009-01-16 12:53:24 | Tree |
[r8496]
by
bugman
Added a verbosity flag to parse_token() so that print outs are suppressed by default. |
2009-01-16 12:48:17 | Tree |
2009-01-16 12:44:47 | Tree | |
2009-01-16 12:43:37 | Tree | |
[r8493]
by
bugman
Modified the prompt interface of the structure.vectors() user function. The struct_index arg is dead! Long live the model arg! |
2009-01-16 10:26:44 | Tree |
2009-01-15 19:10:18 | Tree | |
2009-01-15 19:08:40 | Tree | |
[r8490]
by
semor
Corrected the way the scaling matrix is assembled. This is as proposed by Ed in a post at: The scaling values are now based on the default values for the different parameters which were The only parameter for which the average is still used (as for intensities in the 'relax_fit.py' |
2009-01-15 18:58:07 | Tree |