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Searched refs:separate_dhdl_file (Results 1 – 7 of 7) sorted by relevance

/dports/science/gromacs/gromacs-2021.4/src/gromacs/mdlib/
H A Dcompute_io.cpp110 if (ir->fepvals->separate_dhdl_file == esepdhdlfileYES) in compute_io()
H A Dmdoutf.cpp210 && (ir->fepvals->separate_dhdl_file == esepdhdlfileYES) && EI_DYNAMICS(ir->eI)) in init_mdoutf()
H A Denergyoutput.cpp547 if (ir->fepvals->separate_dhdl_file == esepdhdlfileNO) in EnergyOutput()
/dports/science/gromacs/gromacs-2021.4/src/gromacs/mdtypes/
H A Dinputrec.h155 int separate_dhdl_file; member
H A Dinputrec.cpp601 PS("separate-dhdl-file", SEPDHDLFILETYPE(fep->separate_dhdl_file)); in pr_fepvals()
1284 …cmp_int(fp, "inputrec->separate_dhdl_file", -1, fep1->separate_dhdl_file, fep2->separate_dhdl_file… in cmp_fepvals()
/dports/science/gromacs/gromacs-2021.4/src/gromacs/fileio/
H A Dtpxio.cpp612 serializer->doInt(&fepvals->separate_dhdl_file); in do_fepvals()
617 fepvals->separate_dhdl_file = esepdhdlfileYES; in do_fepvals()
/dports/science/gromacs/gromacs-2021.4/src/gromacs/gmxpreprocess/
H A Dreadir.cpp2324 fep->separate_dhdl_file = get_eeenum(&inp, "separate-dhdl-file", separate_dhdl_file_names, wi); in get_ir()