Commit | Date | |
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2012-06-18 15:59:49 | Tree | |
2012-06-18 15:35:23 | Tree | |
[r16936]
by
bugman
Created the dipole_pair.read_dist user function definitions. This new user function is for simplifying the loading of many different interatomic distances into |
2012-06-18 15:27:16 | Tree |
[r16935]
by
bugman
Fix for the dipole_pair.define user function - the interatom object can pre-exist, containing other data. |
2012-06-18 12:48:49 | Tree |
2012-06-18 12:48:01 | Tree | |
2012-06-18 12:41:55 | Tree | |
2012-06-18 12:28:36 | Tree | |
[r16931]
by
bugman
Shifted the relax_data.dipole_pair user function into the new dipole_pair user function class. This has also been split into two new user functions: |
2012-06-18 12:10:00 | Tree |
2012-06-18 09:45:51 | Tree | |
[r16929]
by
bugman
Added CONECT records to the sphere.pdb file to allow connectivities to be more easily determined. This is for the internal reader, as the current algorithm for finding attached atoms is distance |
2012-06-18 09:14:59 | Tree |