Commit | Date | |
---|---|---|
[r6823]
by
bugman
Added the missing return_name and return_warnings args to the structural API bond_vectors() method. |
2008-07-08 00:04:51 | Tree |
2008-07-08 00:00:59 | Tree | |
[r6821]
by
bugman
Fix for the bond_vectors() method - the spin.attached_atom variable is correctly set. |
2008-07-07 23:51:56 | Tree |
2008-07-07 23:46:47 | Tree | |
[r6819]
by
bugman
Modified the __find_bonded_atom() and bond_vectors() methods to return more data. This additional data is the name of the attached atom and any warnings when trying to find the |
2008-07-07 23:41:48 | Tree |
[r6818]
by
bugman
Added 2 new methods to the internal relax structural object. These are __find_bonded_atom() and bond_vectors(). |
2008-07-07 23:15:32 | Tree |
2008-07-07 22:36:46 | Tree | |
2008-07-07 22:31:15 | Tree | |
[r6815]
by
semor
Correction for the structure.atom_add() function calls to match the variables needed. |
2008-07-07 22:24:29 | Tree |
[r6814]
by
semor
Switched from os.devnull to devnull within relax_io.open_write_file(). This is as proposed by Edward d'Auvergne in a post at: |
2008-07-07 21:46:52 | Tree |