PCA ACE example and documentation #74
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[x] Integration of PCAState into main source code. Currently there are two versions of PCA: PCA and PCAState. The second version stores data from the PCA fitting process to reduce different different datasets, e.g. fit PCA with the training dataset, use this the PCAState object to reduce the training dataset, and then use the object to reduce the test dataset. Also, the PCAState version performs PCA over energy and force descriptors.
[x] Add PCA ACE example.
[x] Add PCA example into documentaion.
[x] Minor changes in DPP-ACE example.