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(parent: 4d90a92) | patch
Use ListOfLists for atom to constraint mapping
commit7030361aab7e9d7927d98a5c68211c05531b256d
authorBerk Hess <hess@kth.se>
Tue, 10 Dec 2019 09:56:19 +0000 (10 10:56 +0100)
committerMagnus Lundborg <magnus.lundborg@scilifelab.se>
Sun, 22 Dec 2019 13:31:20 +0000 (22 14:31 +0100)
treeb88f473adea7a944aa55aece81a874d722795589tree | snapshot (tar.gz zip)
parent4d90a922ad47dfdbf62117bb04decde615172e1ecommit | diff
Use ListOfLists for atom to constraint mapping

Replace t_blocka by ListOfList<int> for all atom to constraint map
handling.

Change-Id: If33e7068949c28453a186c4a83842bab3dc6fb2a
src/gromacs/domdec/domdec_constraints.cpp diff | blob | blame | history
src/gromacs/gmxpreprocess/grompp.cpp diff | blob | blame | history
src/gromacs/mdlib/constr.cpp diff | blob | blame | history
src/gromacs/mdlib/constr.h diff | blob | blame | history
src/gromacs/mdlib/constraintrange.cpp diff | blob | blame | history
src/gromacs/mdlib/lincs.cpp diff | blob | blame | history
src/gromacs/mdlib/lincs.h diff | blob | blame | history
src/gromacs/mdlib/tests/constrtestrunners.cpp diff | blob | blame | history
src/gromacs/mdlib/updategroups.cpp diff | blob | blame | history
The ultimate molecular dynamics simulation package