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

/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dqmmm_create.F40 do_qmmm_center_every_step, do_qmmm_center_never, do_qmmm_center_pbc_aware, &
194 ELSE IF (center_i == do_qmmm_center_every_step) THEN
H A Dinput_cp2k_qmmm.F36 do_qmmm_center_every_step, do_qmmm_center_max_minus_min, do_qmmm_center_never, &
190 … enum_i_vals=(/do_qmmm_center_every_step, do_qmmm_center_setup_only, do_qmmm_center_never/), &
191 default_i_val=do_qmmm_center_every_step)
H A Dinput_constants.F278 INTEGER, PARAMETER, PUBLIC :: do_qmmm_center_every_step = 0, & variable
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dqmmm_create.F40 do_qmmm_center_every_step, do_qmmm_center_never, do_qmmm_center_pbc_aware, &
194 ELSE IF (center_i == do_qmmm_center_every_step) THEN
H A Dinput_cp2k_qmmm.F36 do_qmmm_center_every_step, do_qmmm_center_max_minus_min, do_qmmm_center_never, &
190 … enum_i_vals=(/do_qmmm_center_every_step, do_qmmm_center_setup_only, do_qmmm_center_never/), &
191 default_i_val=do_qmmm_center_every_step)
H A Dinput_constants.F278 INTEGER, PARAMETER, PUBLIC :: do_qmmm_center_every_step = 0, & variable