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SVN archive Commit Log


Commit Date  
[r8506] by bugman

Fixed the API bond_vectors() method.

2009-01-19 10:11:29 Tree
[r8505] by bugman

Modified the bond_vectors() method for the new structural object design.

2009-01-19 10:11:16 Tree
[r8504] by bugman

Deleted the Scientific python structural object add_struct() method.

2009-01-19 10:04:57 Tree
[r8503] by bugman

Redesigned add_molecule(). The method now is one line long!!!

2009-01-19 10:00:55 Tree
[r8502] by bugman

Bug fix for one of the checks in pack_structs().

2009-01-19 09:54:09 Tree
[r8501] by bugman

Updated the relax intro copyright notice for the relax development team to 2009!

2009-01-17 11:36:47 Tree
[r8500] by bugman

Removed some redundant code.

2009-01-16 16:49:22 Tree
[r8499] by bugman

Started to redesign add_struct() to remove the struct_index arg and convert to the new model design.

The API base class function get_model() has been added to return or create the desired model. The
add_struct() method has been renamed to add_molecule(). Much work remains to be done.

2009-01-16 16:49:01 Tree
[r8498] by bugman

Support for models vs. molecules and the elimination of struct_index in bond_vectors().

2009-01-16 15:57:01 Tree
[r8497] by bugman

Fix for the struct_index arg unit test of structure.vectors().

The arg is now called 'model'.

2009-01-16 12:53:24 Tree
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