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(parent: 5099eeb) | patch
Made correlation function routine use std::vector
authorDavid van der Spoel <spoel@xray.bmc.uu.se>
Tue, 21 Jun 2016 11:34:24 +0000 (13:34 +0200)
committerDavid van der Spoel <davidvanderspoel@gmail.com>
Tue, 20 Sep 2016 10:42:16 +0000 (12:42 +0200)
commitf1ef5208526179e572ff4e3ab7879ff3517afabc
treed45f7520d6bd459c8851d400c7bedcdbe2a399actree | snapshot
parent5099eeb6f605f68d8442ea1c69c85e24576cd150commit | diff
Made correlation function routine use std::vector

In order to clean up the correlation function routine presented
the data as std::vector<std::vector<real> > rather than real **.
manyautocorrelation.cpp does not use snew and friends more.
Routine throws gmx::InconsistentInputError when the input is
inconsistent.

Change-Id: Ief04a37de3d3bc9695603f025517ce169bf9e49a
src/gromacs/correlationfunctions/autocorr.cpp diff | blob | history
src/gromacs/correlationfunctions/manyautocorrelation.cpp diff | blob | history
src/gromacs/correlationfunctions/manyautocorrelation.h diff | blob | history
src/gromacs/correlationfunctions/tests/CMakeLists.txt diff | blob | history
src/gromacs/correlationfunctions/tests/manyautocorrelation.cpp [new file with mode: 0644] blob
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