Changes between Version 9 and Version 10 of ApplicationExamples
- Timestamp:
- Aug 11, 2014, 5:01:03 PM (10 years ago)
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ApplicationExamples
v9 v10 16 16 * FragmentingMolecules - how to split a molecule into fragments. 17 17 * 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]