Commit | Date | |
---|---|---|
[r16928]
by
bugman
Implemented the are_bonded() structural API method for the internal structural object. |
2012-06-18 09:06:35 | Tree |
[r16927]
by
bugman
Created the structural API base are_bonded() method - this is for determining if 2 atoms are bonded. This is a method stub which raises a RelaxImplementError. |
2012-06-18 07:50:31 | Tree |
2012-06-17 22:12:09 | Tree | |
2012-06-17 21:22:09 | Tree | |
[r16924]
by
bugman
Shifted the dipole-dipole graphics to the Wizard directory, as this is a wizard graphic. |
2012-06-17 20:37:57 | Tree |
2012-06-17 20:37:23 | Tree | |
2012-06-17 11:54:24 | Tree | |
[r16921]
by
bugman
The bond length setting via value.set has no been merged into relax_data.dipole_pair. This averaged length is dipole-dipole distance and does not need to be a model-free parameter. |
2012-06-17 11:54:03 | Tree |
2012-06-17 09:46:11 | Tree | |
[r16919]
by
bugman
Redesigned the model-free dauvergne_protocol.py system test script for the interatomic concept. The new script will be used to redesign how to set up a model-free analysis using the interatomic |
2012-06-17 08:25:20 | Tree |