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(parent: c6e2719) | patch
Separate VV first and second steps from MD loop
authorArtem Zhmurov <zhmurov@gmail.com>
Fri, 6 Nov 2020 07:14:13 +0000 (10:14 +0300)
committerArtem Zhmurov <zhmurov@gmail.com>
Mon, 23 Nov 2020 14:24:24 +0000 (14:24 +0000)
commit0787bf7e66a9a1c432578ca0bd93d27432d795a7
treeeedcb28a07ecdccf9e1c7e49abba3b7a81dfcf3etree | snapshot
parentc6e27198115dfb8e8b0169d81fbb0276999abc4acommit | diff
Separate VV first and second steps from MD loop

This combines code blocks that are only active for VV
integrators, and moves them into a separate source file.
Makes logic in the do_md(..) more clear and prepares for
the removal of VV from the legacy integrator.
src/gromacs/mdlib/update_vv.cpp [new file with mode: 0644] blob
src/gromacs/mdlib/update_vv.h [new file with mode: 0644] blob
src/gromacs/mdrun/md.cpp diff | blob | history
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