Changes between Version 9 and Version 10 of ApplicationExamples


Ignore:
Timestamp:
Aug 11, 2014, 5:01:03 PM (10 years ago)
Author:
FrederikHeber
Comment:

added BOSSANOVA example

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  • ApplicationExamples

    v9 v10  
    1616 * FragmentingMolecules - how to split a molecule into fragments.
    1717 * CenteringMolecules - how to center molecules with respect to the boundary
     18 * FragmentationAutomation - how to calculate a molecular system's energy with the BOSSANOVA ansatz and [http://www.mpqc.org MPQC]