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Searched refs:hasReadEkinState (Results 1 – 9 of 9) sorted by relevance

/dports/science/gromacs/gromacs-2021.4/src/gromacs/mdtypes/
H A Dstate.h181 bool hasReadEkinState; variable
H A Dstate.cpp140 hasReadEkinState = true; in doCheckpoint()
/dports/science/gromacs/gromacs-2021.4/src/gromacs/mdrun/
H A Dmd.cpp554 bool hasReadEkinState = MASTER(cr) ? state_global->ekinstate.hasReadEkinState : false; in do_md() local
557 gmx_bcast(sizeof(hasReadEkinState), &hasReadEkinState, cr->mpi_comm_mygroup); in do_md()
559 if (hasReadEkinState) in do_md()
566 | (EI_VV(ir->eI) ? CGLO_CONSTRAINT : 0) | (hasReadEkinState ? CGLO_READEKIN : 0)); in do_md()
/dports/science/plumed/plumed2-2.7.2/patches/gromacs-2021.diff/src/gromacs/mdrun/
H A Dmd.cpp573 bool hasReadEkinState = MASTER(cr) ? state_global->ekinstate.hasReadEkinState : false; in do_md() local
576 gmx_bcast(sizeof(hasReadEkinState), &hasReadEkinState, cr->mpi_comm_mygroup); in do_md()
578 if (hasReadEkinState) in do_md()
585 | (EI_VV(ir->eI) ? CGLO_CONSTRAINT : 0) | (hasReadEkinState ? CGLO_READEKIN : 0)); in do_md()
H A Dmd.cpp.preplumed553 // agree on hasReadEkinState at that time.
554 bool hasReadEkinState = MASTER(cr) ? state_global->ekinstate.hasReadEkinState : false;
557 gmx_bcast(sizeof(hasReadEkinState), &hasReadEkinState, cr->mpi_comm_mygroup);
559 if (hasReadEkinState)
566 | (EI_VV(ir->eI) ? CGLO_CONSTRAINT : 0) | (hasReadEkinState ? CGLO_READEKIN : 0));
/dports/science/plumed/plumed2-2.7.2/patches/gromacs-2020.6.diff/src/gromacs/mdrun/
H A Dmd.cpp553 bool hasReadEkinState = MASTER(cr) ? state_global->ekinstate.hasReadEkinState : false; in do_md() local
556 gmx_bcast(sizeof(hasReadEkinState), &hasReadEkinState, cr); in do_md()
558 if (hasReadEkinState) in do_md()
565 | (EI_VV(ir->eI) ? CGLO_CONSTRAINT : 0) | (hasReadEkinState ? CGLO_READEKIN : 0)); in do_md()
H A Dmd.cpp.preplumed533 // agree on hasReadEkinState at that time.
534 bool hasReadEkinState = MASTER(cr) ? state_global->ekinstate.hasReadEkinState : false;
537 gmx_bcast(sizeof(hasReadEkinState), &hasReadEkinState, cr);
539 if (hasReadEkinState)
546 | (EI_VV(ir->eI) ? CGLO_CONSTRAINT : 0) | (hasReadEkinState ? CGLO_READEKIN : 0));
/dports/science/gromacs/gromacs-2021.4/src/gromacs/mdlib/
H A Dupdate.cpp1261 ekinstate->hasReadEkinState = false; in init_ekinstate()
/dports/science/gromacs/gromacs-2021.4/src/gromacs/fileio/
H A Dcheckpoint.cpp2638 state->ekinstate.hasReadEkinState = (((headerContents->flags_eks & (1 << eeksEKINH)) != 0) in read_checkpoint()