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SVN archive Commit Log


Commit Date  
[r5526] by bugman

Fixed the atom_loop() call in centre_of_mass().

2008-04-10 09:30:21 Tree
[r5525] by bugman

Fixed the atom_loop() call in load_spins().

2008-04-10 09:29:51 Tree
[r5524] by bugman

Added the 'atom_id' arg to the structural API atom_loop() generator method stub.

2008-04-10 09:28:00 Tree
[r5523] by bugman

The Scientific atom_loop() structural API method now properly returns the element name.

2008-04-10 09:26:31 Tree
[r5522] by bugman

'_flag' has been added to all of the Scientific Python atom_loop() API method flags.

2008-04-10 09:25:24 Tree
[r5521] by bugman

Added '_flag' to the end of all the flag args in the atom_loop() structural API method.

This will avoid many bugs with the flags being overwritten by other variables.

2008-04-10 09:22:40 Tree
[r5520] by bugman

Updated the Scientific Python structural API atom_loop() method.

All the flags are now accepted, and the appropriate tuple is now built.

2008-04-10 09:19:07 Tree
[r5519] by bugman

All the atom_loop() args in the API have been set to False.

This will make the method more robust as the caller will get exactly what it asks for, i.e. the
tuple will be of the right size.

2008-04-10 09:10:34 Tree
[r5518] by bugman

Made the call to the atom_loop() method in the centre_of_mass() function more robust.

By setting all the flags, the returned tuple should always be the correct size, even if additional
atomic data is specified in the API method.

2008-04-10 09:09:03 Tree
[r5517] by bugman

Updated the call to the atom_loop() method in the centre_of_mass() function.

2008-04-10 09:07:06 Tree
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