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Searched defs:totalNumberOfBondedInteractions (Results 1 – 9 of 9) sorted by relevance

/dports/science/gromacs/gromacs-2021.4/src/gromacs/mdrun/
H A Dmimic.cpp165 int totalNumberOfBondedInteractions = -1; in do_mimic() local
H A Drerun.cpp201 int totalNumberOfBondedInteractions = -1; in do_rerun() local
H A Dmd.cpp207 int totalNumberOfBondedInteractions = -1; in do_md() local
/dports/science/gromacs/gromacs-2021.4/src/gromacs/mdlib/
H A Dstat.cpp155 int* totalNumberOfBondedInteractions, in global_stat()
H A Dmd_support.cpp317 int* totalNumberOfBondedInteractions, in compute_globals()
/dports/science/plumed/plumed2-2.7.2/patches/gromacs-2019.6.diff/src/gromacs/mdrun/
H A Dmd.cpp230 int totalNumberOfBondedInteractions = -1; in do_md() local
/dports/science/plumed/plumed2-2.7.2/patches/gromacs-2020.6.diff/src/gromacs/mdrun/
H A Dmd.cpp224 int totalNumberOfBondedInteractions = -1; in do_md() local
/dports/science/plumed/plumed2-2.7.2/patches/gromacs-2021.diff/src/gromacs/mdrun/
H A Dmd.cpp226 int totalNumberOfBondedInteractions = -1; in do_md() local
/dports/science/gromacs/gromacs-2021.4/src/gromacs/domdec/
H A Dpartition.cpp3224 int totalNumberOfBondedInteractions, in checkNumberOfBondedInteractions()