Clean up make_at2con
authorBerk Hess <hess@kth.se>
Thu, 17 May 2018 11:24:39 +0000 (13:24 +0200)
committerMark Abraham <mark.j.abraham@gmail.com>
Wed, 6 Jun 2018 22:42:17 +0000 (00:42 +0200)
commitff928f7faa551a1ad37982432cf70797c8238092
tree454e6c8a0106287a87300c7c5a40c82adb8a5afa
parent431258df7d314ac41b45d3374e1cf90e16476482
Clean up make_at2con

Added an enum to control the flexible constraint treatment.
Removed start (was always zero), simplified indexing and added
documentation.

Change-Id: I08494dd553e85f8ff4aa39303899639583fdc7ac
src/gromacs/gmxpreprocess/grompp.cpp
src/gromacs/mdlib/constr.cpp
src/gromacs/mdlib/constr.h
src/gromacs/mdlib/constraintrange.cpp
src/gromacs/mdlib/lincs.cpp