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(parent: 23d8dc8) | patch
Test for LINCS and SHAKE constraints.
authorArtem Zhmurov <zhmurov@gmail.com>
Tue, 15 Jan 2019 15:04:49 +0000 (16:04 +0100)
committerMark Abraham <mark.j.abraham@gmail.com>
Thu, 21 Feb 2019 08:42:00 +0000 (09:42 +0100)
commitbec0fa7b941a5475a18e05eafa2acafbff654ef8
tree696428689c19b3c127ecdb82fd2ab316d1d77d91tree | snapshot
parent23d8dc8ffdd40fd38feb514b38d9413d6e5f08a8commit | diff
Test for LINCS and SHAKE constraints.

This version updates the tests making the selection of the
constraining algorithm more abstract. Makes it possible
to use the same test routines for new implementations (e.g.
CPU- or GPU-based) or (and) algorithms (e.g. LINCS or SHAKE).
Partly this is preparation for the GPU-based version of
the constraints (Refs #2816).

Change-Id: Ice7dfdcc6d86c04656b0a1dd4e328c5afdb8a263
src/gromacs/mdlib/tests/constr.cpp diff | blob | history
src/gromacs/mdlib/tests/constrdata.h [deleted file] blob | history
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