DFT Functionality: Test second derivatives for multispecies case

jimlutsko / classicalDFT

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DFT Functionality: Test second derivatives for multispecies case #26

Open jimlutsko opened 4 years ago

jimlutsko commented 4 years ago

The existing testing code (in dftApps repository) actually tests all aspects of the calculations, not just second derivatives but only for a single species. It should be extended to do multispecies testing as well.