Add constructor for t_corr in gmx_msd
authorKevin Boyd <kevin.boyd@uconn.edu>
Sat, 27 Oct 2018 15:27:47 +0000 (11:27 -0400)
committerKevin Boyd <kevin.boyd@uconn.edu>
Mon, 29 Oct 2018 21:13:00 +0000 (17:13 -0400)
commit0a016ffb0edd7acd16922f6081d9cc8d8e4f0f16
treea77dee27d3e67ce33fc35af92e4514100883c53d
parent3931d4399c2dc65c1ec88e49f05f9025edb71059
Add constructor for t_corr in gmx_msd

Moves initialization of t_corr from an init_corr function into
a constructor, keeps all functionality. This is in preparation
to replace c-style arrays within t_corr with stl containers.

A few fields weren't initialized in the original function, added
initialization for them

Made *t_corr into a smart pointer

refs #2368

Change-Id: I37ba12474c5dc3ce989fd1ff369fb50337461750
src/gromacs/gmxana/gmx_msd.cpp