Searched refs:do_qmmm_pcharge (Results 1 – 16 of 16) sorted by relevance
/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | qmmm_elpot.F | 22 do_qmmm_pcharge,& 127 CASE (do_qmmm_pcharge) 134 CASE (do_qmmm_coulomb, do_qmmm_pcharge)
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H A D | qmmm_per_elpot.F | 32 do_qmmm_pcharge,& 138 CASE (do_qmmm_coulomb, do_qmmm_pcharge) 154 CASE (do_qmmm_coulomb, do_qmmm_pcharge) 380 CASE (do_qmmm_pcharge)
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H A D | qmmm_se_energy.F | 33 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)
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H A D | qmmm_gpw_energy.F | 32 do_qmmm_pcharge,& 148 CASE (do_qmmm_pcharge) 165 CASE (do_qmmm_pcharge) 178 CASE (do_qmmm_pcharge)
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H A D | qmmm_gpw_forces.F | 29 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)
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H A D | qmmm_init.F | 43 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)
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H A D | input_cp2k_qmmm.F | 39 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/), &
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H A D | input_constants.F | 372 do_qmmm_pcharge = 4, & variable
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | qmmm_elpot.F | 22 do_qmmm_pcharge,& 127 CASE (do_qmmm_pcharge) 134 CASE (do_qmmm_coulomb, do_qmmm_pcharge)
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H A D | qmmm_per_elpot.F | 32 do_qmmm_pcharge,& 138 CASE (do_qmmm_coulomb, do_qmmm_pcharge) 154 CASE (do_qmmm_coulomb, do_qmmm_pcharge) 380 CASE (do_qmmm_pcharge)
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H A D | qmmm_se_energy.F | 33 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)
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H A D | qmmm_gpw_energy.F | 32 do_qmmm_pcharge,& 148 CASE (do_qmmm_pcharge) 165 CASE (do_qmmm_pcharge) 178 CASE (do_qmmm_pcharge)
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H A D | qmmm_gpw_forces.F | 29 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)
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H A D | qmmm_init.F | 43 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)
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H A D | input_cp2k_qmmm.F | 39 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/), &
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H A D | input_constants.F | 372 do_qmmm_pcharge = 4, & variable
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