## Task #2368

### update implementation of gmx msd

**Description**

In particular, corr_loop() does some strangely constructed vector resizes that can provoke warnings (e.g. with gcc 7.2 on power8):

[566/1386] Building CXX object src/groma...iles/libgromacs.dir/gmxana/gmx_msd.cpp.o ../src/gromacs/gmxana/gmx_msd.cpp: In function ‘int gmx_msd(int, char**)’: ../src/gromacs/gmxana/gmx_msd.cpp:758:42: warning: assuming signed overflow does not occur when assuming that (X + c) < X is always false [-Wstrict-overflow] for (j = maxframes-10; j < maxframes; j++) ~~^~~~~~~~~~~ ../src/gromacs/gmxana/gmx_msd.cpp:758:42: warning: assuming signed overflow does not occur when assuming that (X + c) < X is always false [-Wstrict-overflow] ../src/gromacs/gmxana/gmx_msd.cpp:758:42: warning: assuming signed overflow does not occur when assuming that (X + c) < X is always false [-Wstrict-overflow] ../src/gromacs/gmxana/gmx_msd.cpp:758:42: warning: assuming signed overflow does not occur when assuming that (X + c) < X is always false [-Wstrict-overflow] ../src/gromacs/gmxana/gmx_msd.cpp:758:42: warning: assuming signed overflow does not occur when assuming that (X + c) < X is always false [-Wstrict-overflow] ../src/gromacs/gmxana/gmx_msd.cpp:758:42: warning: assuming signed overflow does not occur when assuming that (X + c) < X is always false [-Wstrict-overflow] ../src/gromacs/gmxana/gmx_msd.cpp:758:42: warning: assuming signed overflow does not occur when assuming that (X + c) < X is always false [-Wstrict-overflow] ../src/gromacs/gmxana/gmx_msd.cpp:758:42: warning: assuming signed overflow does not occur when assuming that (X + c) < X is always false [-Wstrict-overflow] ../src/gromacs/gmxana/gmx_msd.cpp:758:42: warning: assuming signed overflow does not occur when assuming that (X + c) < X is always false [-Wstrict-overflow]

Some small helper structs and std::vector will make that code a lot more comprehensible to everyone

### History

#### #1 Updated by Kevin Boyd 3 months ago

**Status**changed from*New*to*In Progress***Assignee**set to*Kevin Boyd***Target version**set to*2019*

#### #2 Updated by Mark Abraham 17 days ago

**Target version**changed from*2019*to*future*