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(parent: 05556db) | patch
Move calculation of kinetic energy to md_support
authorArtem Zhmurov <zhmurov@gmail.com>
Fri, 5 Jun 2020 15:23:32 +0000 (17:23 +0200)
committerArtem Zhmurov <zhmurov@gmail.com>
Fri, 5 Jun 2020 15:23:32 +0000 (17:23 +0200)
commit077fc66da9b6cf46225791fac4184746199c5ff6
tree71bd9b42e6f06cadd1eed59c36ca643905817685tree | snapshot
parent05556dbc8fb19d928055de6600894e719f901983commit | diff
Move calculation of kinetic energy to md_support

The calc_ke_part function is only called from compute_globals,
hence it should reside there, not in update.
src/gromacs/mdlib/md_support.cpp diff | blob | history
src/gromacs/mdlib/update.cpp diff | blob | history
src/gromacs/mdlib/update.h diff | blob | history
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