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SVN archive Commit Log


Commit Date  
[r5287] by bugman

The fn physical_constants.return_atomic_mass() is now used instead of the old atomic_mass() fn.

2008-04-04 09:13:40 Tree
[r5286] by bugman

Updated physical_constants.return_atomic_mass() to better match generic_fns.structure.atomic_mass().

2008-04-04 09:12:13 Tree
[r5285] by bugman

Created a new directory for the new 'structure' package.

This will eventually contain numerous structure related operations including:

A number of PDB parsers,
A PDB writer,
CIF parsers,
Other structural data file parsers,
Functions for creating geometric objects in structural format,
Mass and inertia related functions.

This package will eventually have a well defined API for accessing structural data independent of
the structure parser used.

2008-04-04 09:09:57 Tree
[r5284] by bugman

Updated the generic_fns.structure.set_vector() function to the new design.

2008-04-04 08:59:15 Tree
[r5283] by semor

More removal of the run argument as part of the moving to the new design.

2008-04-03 21:10:44 Tree
[r5282] by semor

More removal of the run argument as part of the moving to the new design.

2008-04-03 21:07:22 Tree
[r5281] by semor

More removal of the run argument as part of the moving to the new design.

2008-04-03 21:00:27 Tree
[r5280] by semor

More modifications for the new design and the removal of a 'tab' character.

2008-04-03 20:37:16 Tree
[r5279] by semor

Reverted revision 5268.

The command used was:
svn merge -r5268:5267 .

Too many errors were present as noted by Edward d'Auvergne in a post at:
https://mail.gna.org/public/relax-devel/2008-04/msg00022.html (Message-id:
<7f080ed10804031148r75a295a2u99569bb13b99ffc5@...>)

2008-04-03 20:24:13 Tree
[r5278] by semor

More removal of the run argument as part of the moving to the new design.

2008-04-03 18:48:09 Tree
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