| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | mixed_environment_utils.F | 59 virials, results, factor, iforce_eval, nforce_eval, map_index, & argument
69 INTEGER, INTENT(IN) :: iforce_eval, nforce_eval local
140 SUBROUTINE get_subsys_map_index(mapping_section, natom, iforce_eval, nforce_eval, map_index, & argument
144 INTEGER, INTENT(IN) :: natom, iforce_eval, nforce_eval local
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| H A D | mixed_cdft_methods.F | 155 mixing_type, nforce_eval local
457 my_special_work, natom, nforce_eval, recv_offset, ub_max local
895 jforce_eval, nforce_eval local
1070 INTEGER :: handle, iforce_eval, nforce_eval local
1175 j, jstate, k, moeigvalunit, mounit, nao, ncol_local, nforce_eval, nmo, npermutations, & local
1700 nforce_eval, npermutations, nvar local
1793 nforce_eval, work_array_size local
1897 nblk, nforce_eval, nrecursion local
2015 nforce_eval, npermutations, nspins local
2071 jstate, nao, nforce_eval, nmo, & local
[all …]
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| H A D | mixed_cdft_utils.F | 154 nforce_eval, nkinds local
650 ncpu, nforce_eval, ntargets, offset, & local
1061 ncol_wmat, nforce_eval, nrow_overlap, & local
1382 jstate, nforce_eval, npermutations, & local
1641 INTEGER :: i, j, k, l, nblk, nforce_eval local
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| H A D | force_env_methods.F | 862 natom, nforce_eval, source, unit_nr local
1199 my_group, natom, nforce_eval local
1320 INTEGER :: iforce_eval, nforce_eval, nvar local
1366 my_group, natom, nforce_eval local
1582 nforce_eval, nspins, nspins_subsys, & local
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| H A D | force_env_types.F | 671 SUBROUTINE multiple_fe_list(force_env_sections, root_section, i_force_eval, nforce_eval) argument
675 INTEGER :: nforce_eval local
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| H A D | input_cp2k_check.F | 71 INTEGER :: handle, iforce_eval, nforce_eval, & local
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| H A D | input_restart_force_eval.F | 91 INTEGER :: i_subsys, iforce_eval, myid, nforce_eval local
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| H A D | environment.F | 502 nforce_eval, num_threads, output_unit, print_level, trace_max, unit_nr local
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| H A D | f77_interface.F | 569 nforce_eval, ngroups, nsubforce_size, unit_nr local
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| H A D | optimize_embedding_potential.F | 989 SUBROUTINE Coulomb_guess(v_rspace, rhs, mapping_section, qs_env, nforce_eval, iforce_eval, eta) argument
994 INTEGER :: nforce_eval, iforce_eval local
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | mixed_environment_utils.F | 59 virials, results, factor, iforce_eval, nforce_eval, map_index, & argument
69 INTEGER, INTENT(IN) :: iforce_eval, nforce_eval local
140 SUBROUTINE get_subsys_map_index(mapping_section, natom, iforce_eval, nforce_eval, map_index, & argument
144 INTEGER, INTENT(IN) :: natom, iforce_eval, nforce_eval local
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| H A D | mixed_cdft_methods.F | 156 mixing_type, nforce_eval local
458 my_special_work, natom, nforce_eval, recv_offset, ub_max local
896 jforce_eval, nforce_eval local
1071 INTEGER :: handle, iforce_eval, nforce_eval local
1176 j, jstate, k, moeigvalunit, mounit, nao, ncol_local, nforce_eval, nmo, npermutations, & local
1701 nforce_eval, npermutations, nvar local
1794 nforce_eval, work_array_size local
1898 nblk, nforce_eval, nrecursion local
2016 nforce_eval, npermutations, nspins local
2072 jstate, nao, nforce_eval, nmo, & local
[all …]
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| H A D | mixed_cdft_utils.F | 154 nforce_eval, nkinds local
650 ncpu, nforce_eval, ntargets, offset, & local
1061 ncol_wmat, nforce_eval, nrow_overlap, & local
1382 jstate, nforce_eval, npermutations, & local
1641 INTEGER :: i, j, k, l, nblk, nforce_eval local
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| H A D | force_env_methods.F | 900 natom, nforce_eval, source, unit_nr local
1237 my_group, natom, nforce_eval local
1358 INTEGER :: iforce_eval, nforce_eval, nvar local
1404 my_group, natom, nforce_eval local
1620 nforce_eval, nspins, nspins_subsys, & local
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| H A D | force_env_types.F | 671 SUBROUTINE multiple_fe_list(force_env_sections, root_section, i_force_eval, nforce_eval) argument
675 INTEGER :: nforce_eval local
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| H A D | input_cp2k_check.F | 71 INTEGER :: handle, iforce_eval, nforce_eval, & local
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| H A D | input_restart_force_eval.F | 90 INTEGER :: i_subsys, iforce_eval, myid, nforce_eval local
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| H A D | environment.F | 499 nforce_eval, num_threads, output_unit, print_level, trace_max, unit_nr local
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| H A D | f77_interface.F | 567 nforce_eval, ngroups, nsubforce_size, unit_nr local
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| H A D | optimize_embedding_potential.F | 989 SUBROUTINE Coulomb_guess(v_rspace, rhs, mapping_section, qs_env, nforce_eval, iforce_eval, eta) argument
994 INTEGER :: nforce_eval, iforce_eval local
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| H A D | colvar_methods.F | 2167 nforce_eval local
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| /dports/science/cp2k-data/cp2k-7.1.0/src/motion/ |
| H A D | free_energy_methods.F | 76 INTEGER :: handle, ic, icolvar, nforce_eval, & local
798 SUBROUTINE dump_ac_info(my_val, my_par, dx, lerr, fe_section, nforce_eval, cum_res, & argument
805 INTEGER, INTENT(IN) :: nforce_eval local
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| H A D | input_cp2k_restarts.F | 126 … INTEGER :: handle, ikey, ires, log_unit, nforce_eval local
220 INTEGER :: handle, iforce_eval, myid, nforce_eval local
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/motion/ |
| H A D | free_energy_methods.F | 76 INTEGER :: handle, ic, icolvar, nforce_eval, & local
798 SUBROUTINE dump_ac_info(my_val, my_par, dx, lerr, fe_section, nforce_eval, cum_res, & argument
805 INTEGER, INTENT(IN) :: nforce_eval local
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| H A D | input_cp2k_restarts.F | 124 … INTEGER :: handle, ikey, ires, log_unit, nforce_eval local
218 INTEGER :: handle, iforce_eval, myid, nforce_eval local
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