RSS All releases tagged Bugfixes

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.

  •  31 Dec 2009 21:47

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

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r6rs-protobuf

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