Finish converting calcstate to use DataSet/DataFile framework, add data file 'groupby' options#635

Merged

drroe merged 12 commits intoAmber-MD:masterfrom drroe:state.datasets

Sep 6, 2018

+579-61

Commits on Sep 4, 2018

DRR - Cpptraj: Have transitions use data set / data file framework
Daniel R. Roe
committed

Commits on Sep 5, 2018

Merge branch 'master' into state.datasets
Daniel R. Roe
committed
DRR - Cpptraj: Update output for new data sets
Daniel R. Roe
committed
DRR - Cpptraj: Add groupbyname test
Daniel R. Roe
committed
DRR - Cpptraj: Put grouping code into its own function. Add code for grouping by dimension.
Daniel R. Roe
committed
DRR - Cpptraj: Slight syntax change, groupby <type>
Daniel R. Roe
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DRR - Cpptraj: Fix up help
Daniel R. Roe
committed
DRR - Cpptraj: Fix up help
Daniel R. Roe
committed

Commits on Sep 6, 2018

DRR - Cpptraj: Group by aspect
Daniel R. Roe
committed
DRR - Cpptraj: Group by aspect test
Daniel R. Roe
committed
DRR - Cpptraj: Add by index and by ensemble number
Daniel R. Roe
committed
DRR - Cpptraj: Add group by index test
Daniel R. Roe
committed