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Searched refs:do_atom (Results 1 – 8 of 8) sorted by relevance

/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dinput_cp2k_global.F36 do_atom, do_band, do_cp2k, do_dbcsr, do_diag_elpa, do_diag_sl, do_farming, do_fft_fftw3, &
285 enum_i_vals=(/do_atom, do_farming, do_test, do_cp2k, do_optimize_input, &
H A Dinput_constants.F27 INTEGER, PARAMETER, PUBLIC :: do_atom = 1, & variable
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dinput_cp2k_global.F36 do_atom, do_band, do_cp2k, do_dbcsr, do_diag_elpa, do_diag_sl, do_farming, do_fft_fftw3, &
285 enum_i_vals=(/do_atom, do_farming, do_test, do_cp2k, do_optimize_input, &
H A Dinput_constants.F27 INTEGER, PARAMETER, PUBLIC :: do_atom = 1, & variable
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/start/
H A Dcp2k_runs.F77 bsse_run, cell_opt_run, debug_run, do_atom, do_band, do_cp2k, do_embed, do_farming, &
251 CASE (do_atom)
/dports/science/cp2k-data/cp2k-7.1.0/src/start/
H A Dcp2k_runs.F79 bsse_run, cell_opt_run, debug_run, do_atom, do_band, do_cp2k, do_embed, do_farming, &
253 CASE (do_atom)
/dports/science/py-MDAnalysis/MDAnalysis-0.19.2/MDAnalysis/topology/tpr/
H A Dutils.py686 A = do_atom(data, fver)
717 def do_atom(data, fver): function
/dports/science/gromacs/gromacs-2021.4/src/gromacs/fileio/
H A Dtpxio.cpp2211 static void do_atom(gmx::ISerializer* serializer, t_atom* atom) in do_atom() function
2326 do_atom(serializer, &atoms->atom[i]); in do_atoms()