Searched refs:qmmm_per_section (Results 1 – 4 of 4) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qmmm_per_elpot.F | 233 qmmm_per_section=qmmm_periodic, print_section=print_section)
280 … Fac, mm_atom_index, mm_cell, para_env, qmmm_per_section, print_section) argument
289 TYPE(section_vals_type), POINTER :: qmmm_per_section, print_section local
314 CALL section_vals_val_get(qmmm_per_section, "ngrids", i_vals=ngrids)
320 … LG=LG, gx=gx, gy=gy, gz=gz, hmat=hmat, npts=npts, param_section=qmmm_per_section, &
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| H A D | cp_ddapc_types.F | 272 poisson_section, printC_section, qmmm_per_section, restraint_section, restraint_sectionB, & local
290 qmmm_per_section => section_vals_get_subs_vals(force_env_section, "QMMM%PERIODIC")
327 multipole_section => section_vals_get_subs_vals(qmmm_per_section, "MULTIPOLE")
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qmmm_per_elpot.F | 233 qmmm_per_section=qmmm_periodic, print_section=print_section)
280 … Fac, mm_atom_index, mm_cell, para_env, qmmm_per_section, print_section) argument
289 TYPE(section_vals_type), POINTER :: qmmm_per_section, print_section local
314 CALL section_vals_val_get(qmmm_per_section, "ngrids", i_vals=ngrids)
320 … LG=LG, gx=gx, gy=gy, gz=gz, hmat=hmat, npts=npts, param_section=qmmm_per_section, &
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| H A D | cp_ddapc_types.F | 272 poisson_section, printC_section, qmmm_per_section, restraint_section, restraint_sectionB, & local
290 qmmm_per_section => section_vals_get_subs_vals(force_env_section, "QMMM%PERIODIC")
327 multipole_section => section_vals_get_subs_vals(qmmm_per_section, "MULTIPOLE")
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