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Searched refs:do_qmmm_pcharge (Results 1 – 16 of 16) sorted by relevance

/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dqmmm_elpot.F22 do_qmmm_pcharge,&
127 CASE (do_qmmm_pcharge)
134 CASE (do_qmmm_coulomb, do_qmmm_pcharge)
H A Dqmmm_per_elpot.F32 do_qmmm_pcharge,&
138 CASE (do_qmmm_coulomb, do_qmmm_pcharge)
154 CASE (do_qmmm_coulomb, do_qmmm_pcharge)
380 CASE (do_qmmm_pcharge)
H A Dqmmm_se_energy.F33 do_qmmm_coulomb, do_qmmm_gauss, do_qmmm_none, do_qmmm_pcharge, do_qmmm_swave
170 CASE (do_qmmm_coulomb, do_qmmm_gauss, do_qmmm_swave, do_qmmm_pcharge)
H A Dqmmm_gpw_energy.F32 do_qmmm_pcharge,&
148 CASE (do_qmmm_pcharge)
165 CASE (do_qmmm_pcharge)
178 CASE (do_qmmm_pcharge)
H A Dqmmm_gpw_forces.F29 do_qmmm_pcharge,&
172 CASE(do_qmmm_pcharge)
192 CASE(do_qmmm_pcharge)
248 CASE(do_qmmm_pcharge)
1424 CASE(do_qmmm_pcharge)
1459 CASE(do_qmmm_pcharge)
H A Dqmmm_init.F43 do_qmmm_link_pseudo, do_qmmm_pcharge, do_qmmm_swave
424 CASE (do_qmmm_gauss, do_qmmm_swave, do_qmmm_pcharge)
450 CASE (do_qmmm_gauss, do_qmmm_swave, do_qmmm_pcharge)
H A Dinput_cp2k_qmmm.F39 do_qmmm_link_pseudo, do_qmmm_none, do_qmmm_pcharge, do_qmmm_swave, do_qmmm_wall_none, &
109 … enum_i_vals=(/do_qmmm_none, do_qmmm_coulomb, do_qmmm_gauss, do_qmmm_swave, do_qmmm_pcharge/), &
H A Dinput_constants.F372 do_qmmm_pcharge = 4, & variable
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dqmmm_elpot.F22 do_qmmm_pcharge,&
127 CASE (do_qmmm_pcharge)
134 CASE (do_qmmm_coulomb, do_qmmm_pcharge)
H A Dqmmm_per_elpot.F32 do_qmmm_pcharge,&
138 CASE (do_qmmm_coulomb, do_qmmm_pcharge)
154 CASE (do_qmmm_coulomb, do_qmmm_pcharge)
380 CASE (do_qmmm_pcharge)
H A Dqmmm_se_energy.F33 do_qmmm_coulomb, do_qmmm_gauss, do_qmmm_none, do_qmmm_pcharge, do_qmmm_swave
170 CASE (do_qmmm_coulomb, do_qmmm_gauss, do_qmmm_swave, do_qmmm_pcharge)
H A Dqmmm_gpw_energy.F32 do_qmmm_pcharge,&
148 CASE (do_qmmm_pcharge)
165 CASE (do_qmmm_pcharge)
178 CASE (do_qmmm_pcharge)
H A Dqmmm_gpw_forces.F29 do_qmmm_pcharge, &
172 CASE (do_qmmm_pcharge)
192 CASE (do_qmmm_pcharge)
248 CASE (do_qmmm_pcharge)
1423 CASE (do_qmmm_pcharge)
1458 CASE (do_qmmm_pcharge)
H A Dqmmm_init.F43 do_qmmm_link_pseudo, do_qmmm_pcharge, do_qmmm_swave
424 CASE (do_qmmm_gauss, do_qmmm_swave, do_qmmm_pcharge)
450 CASE (do_qmmm_gauss, do_qmmm_swave, do_qmmm_pcharge)
H A Dinput_cp2k_qmmm.F39 do_qmmm_link_pseudo, do_qmmm_none, do_qmmm_pcharge, do_qmmm_swave, do_qmmm_wall_none, &
109 … enum_i_vals=(/do_qmmm_none, do_qmmm_coulomb, do_qmmm_gauss, do_qmmm_swave, do_qmmm_pcharge/), &
H A Dinput_constants.F372 do_qmmm_pcharge = 4, & variable