Enable RDF calculation by residue/molecule#656

Merged

drroe merged 11 commits intoAmber-MD:masterfrom

drroe:radial_byres

Dec 21, 2018

Commits on Dec 21, 2018

DRR - Cpptraj: Start adding a by residue mode to radial
Daniel R. Roe
committed
Merge branch 'master' into radial_byres
Daniel R. Roe
committed
DRR - Cpptraj: Function should be const
Daniel R. Roe
committed
DRR - Cpptraj: Finish up radial byres
Daniel R. Roe
committed
DRR - Cpptraj: Add by molecule functionality as well
Daniel R. Roe
committed
DRR - Cpptraj: Clean up output.
Daniel R. Roe
committed
DRR - Cpptraj: Simple test of radial byres
Daniel R. Roe
committed
DRR - Cpptraj: Add another radial byres test
Daniel R. Roe
committed
DRR - Cpptraj: Enable test
Daniel R. Roe
committed
DRR - Cpptraj: Fix openmp compile. More output cleanup.
Daniel R. Roe
committed
DRR - Cpptraj: Revision bump for adding byresX and bymolX options for radial command. #645
Daniel R. Roe
committed