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All releases tagged Bugfixes

• 
• 1.2.5

• 
•  01 Dec 2012 07:54
• 

• Bugfixes
• major feature enhancement

Release Notes: Electron correlation energy using Moller-Plesset perturbation theory (MP2) is now available. Calculated results can now be stored in a checkpoint file. The bug related to DIIS convergence method has been fixed.

• 
• 1.0.1

• 
•  31 Dec 2009 21:47
• 

• Stable
• Bugfixes

Release Notes: A minor bugfix regarding reading XYZ file format and adding support for plotting molecular orbitals in CUBE file format.