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Searched refs:bPrintCOM (Results 1 – 6 of 6) sorted by relevance

/dports/science/gromacs/gromacs-2021.4/src/gromacs/mdtypes/
H A Dpull_params.h125 bool bPrintCOM = false; member
H A Dinputrec.cpp611 PS("pull-print-COM", EBOOL(pull.bPrintCOM)); in pr_pull()
/dports/science/gromacs/gromacs-2021.4/src/gromacs/pulling/
H A Doutput.cpp224 if (pull->params.bPrintCOM) in pull_print_x()
468 if (pull->params.bPrintCOM) in open_pull_out()
/dports/science/gromacs/gromacs-2021.4/src/gromacs/gmxana/
H A Dgmx_wham.cpp160 gmx_bool bPrintCOM; //!< COMs of pull groups writtn in pullx.xvg member
2070 header->bPrintCOM = ir->pull->bPrintCOM; in read_tpr_header()
2200 ir->pull->bPrintCOM ? header->pcrd[i].ngroup : 0); in read_tpr_header()
2275 nColCOMCrd[g] = (header->bPrintCOM ? header->pcrd[g].ndim * header->pcrd[g].ngroup : 0); in read_pull_xf()
/dports/science/gromacs/gromacs-2021.4/src/gromacs/gmxpreprocess/
H A Dreadpull.cpp298 pull->bPrintCOM = (get_eeenum(inp, "pull-print-com", yesno_names, wi) != 0); in read_pullparams()
/dports/science/gromacs/gromacs-2021.4/src/gromacs/fileio/
H A Dtpxio.cpp755 serializer->doBool(&pull->bPrintCOM); in do_pull()
810 pull->bPrintCOM = (!pull->group[0].ind.empty()); in do_pull()