Searched refs:hasReadEkinState (Results 1 – 9 of 9) sorted by relevance
/dports/science/gromacs/gromacs-2021.4/src/gromacs/mdtypes/ |
H A D | state.h | 181 bool hasReadEkinState; variable
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H A D | state.cpp | 140 hasReadEkinState = true; in doCheckpoint()
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/dports/science/gromacs/gromacs-2021.4/src/gromacs/mdrun/ |
H A D | md.cpp | 554 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()
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/dports/science/plumed/plumed2-2.7.2/patches/gromacs-2021.diff/src/gromacs/mdrun/ |
H A D | md.cpp | 573 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()
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H A D | md.cpp.preplumed | 553 // 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));
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/dports/science/plumed/plumed2-2.7.2/patches/gromacs-2020.6.diff/src/gromacs/mdrun/ |
H A D | md.cpp | 553 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()
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H A D | md.cpp.preplumed | 533 // 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));
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/dports/science/gromacs/gromacs-2021.4/src/gromacs/mdlib/ |
H A D | update.cpp | 1261 ekinstate->hasReadEkinState = false; in init_ekinstate()
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/dports/science/gromacs/gromacs-2021.4/src/gromacs/fileio/ |
H A D | checkpoint.cpp | 2638 state->ekinstate.hasReadEkinState = (((headerContents->flags_eks & (1 << eeksEKINH)) != 0) in read_checkpoint()
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