Fix X values in data set calc. Add 'nselectedout' option to mask. #848
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Previously, the X values for data sets would be reset when doing data set math. This PR fixes this by using the X values from whatever the first data set is.
Also adds the
nselectedout
option to themask
command to print the total number of selected atoms per frame, which should be useful for distance-based masks especially. Also adds a test for this and fixes up themask
manual entry.