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SVN archive Commit Log


Commit Date  
[r5354] by bugman

The cdp.structure object is now set to the Scientific Python structural data object.

Some code has also been shifted into the load_structures() method.

2008-04-07 12:26:50 Tree
[r5353] by bugman

Converted the read_pdb() function to the new relax design.

2008-04-07 12:20:06 Tree
[r5352] by bugman

Fixed the structure user functions for the module rename of r5350.

2008-04-07 12:03:21 Tree
[r5351] by bugman

Updated the __all__ package list.

2008-04-07 12:01:00 Tree
[r5350] by bugman

Renamed the generic_fns.structure.structure module to generic_fns.structure.main.

2008-04-07 12:00:11 Tree
[r5349] by bugman

Docstring improvements.

2008-04-07 11:59:17 Tree
[r5348] by bugman

Spun out the centre_of_mass() function to its own module.

This new module will contain all functions related to mass and inertia.

2008-04-07 11:57:27 Tree
[r5347] by bugman

Fixed the internal call to the atom_add() method.

2008-04-07 11:50:51 Tree
[r5346] by bugman

Made one of the methods private by renaming to __get_chemical_name().

2008-04-07 11:49:36 Tree
[r5345] by bugman

Changed all the docstrings to say 'method' rather than 'function'.

2008-04-07 11:48:19 Tree
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