#include "cp_common_uses.h"

Include dependency graph for ewalds_multipole_debug.h:

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Functions
!CP2K error USE POINTER::ewald_env	TYPE (ewald_pw_type)
!CP2K error USE POINTER::ewald_env POINTER::ewald_pw	TYPE (fist_nonbond_env_type)
!CP2K error USE POINTER::ewald_env POINTER::ewald_pw POINTER::nonbond_env	TYPE (cell_type)
!CP2K error USE POINTER::ewald_env POINTER::ewald_pw POINTER::nonbond_env POINTER::cell	TYPE (particle_type)
!CP2K error USE POINTER::ewald_env POINTER::ewald_pw POINTER::nonbond_env POINTER::cell	DIMENSION (:)
!CP2K error USE POINTER::ewald_env POINTER::ewald_pw POINTER::nonbond_env POINTER::cell &POINTER::particle_set	TYPE (distribution_1d_type)
Variables
!CP2K	__pad0__
!CP2K	ewald_pw
!CP2K	nonbond_env
!CP2K	cell
!CP2K &	particle_set
!CP2K	local_particles
!CP2K	iw
!CP2K	debug_r_space
!CP2K error USE	cell_types
!CP2K error USE	ONLY
!CP2K error USE POINTER::ewald_env POINTER::ewald_pw POINTER::nonbond_env POINTER::cell &POINTER::particle_set POINTER::local_particles	INTEGER

Function Documentation

! CP2K error USE POINTER :: ewald_env POINTER :: ewald_pw POINTER :: nonbond_env POINTER :: cell DIMENSION ( : )

Referenced by erf_fn::CALERF(), ps_wavelet_fft3d::ctrig(), eip_silicon::eip_bazant_silicon(), eip_silicon::eip_lenosky_silicon(), ps_wavelet_fft3d::fftstp(), eip_silicon::splint(), eip_silicon::subfeniat_l(), eip_silicon::sublstiat_b(), and eip_silicon::sublstiat_l().

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! CP2K error USE POINTER :: ewald_env POINTER :: ewald_pw POINTER :: nonbond_env POINTER :: cell & POINTER :: particle_set TYPE ( distribution_1d_type )

! CP2K error USE POINTER :: ewald_env POINTER :: ewald_pw TYPE ( fist_nonbond_env_type )

! CP2K error USE POINTER :: ewald_env POINTER :: ewald_pw POINTER :: nonbond_env POINTER :: cell TYPE ( particle_type )

! CP2K error USE POINTER :: ewald_env POINTER :: ewald_pw POINTER :: nonbond_env TYPE ( cell_type )

! CP2K error USE POINTER :: ewald_env TYPE ( ewald_pw_type )

Variable Documentation

! CP2K __pad0__

Definition at line 12 of file ewalds_multipole_debug.h.

! CP2K cell

Definition at line 12 of file ewalds_multipole_debug.h.

Referenced by qmmm_util::apply_qmmm_translate(), qmmm_util::apply_qmmm_translate_low(), qmmm_util::apply_qmmm_walls_quadratic(), qmmm_util::apply_qmmm_walls_reflective(), fist_nonbond_force::bonded_correct_gaussian(), hfx_pair_list_methods::build_atomic_pair_list(), core_ppnl::build_core_ppnl(), fist_neighbor_lists::build_fist_neighbor_lists(), qs_oce_methods::build_oce_matrices(), hfx_pair_list_methods::build_pair_list(), hfx_pair_list_methods::build_pair_list_mp2(), hfx_pair_list_methods::build_pgf_product_list(), qs_resp::calc_resp_matrix_nonper(), qs_dispersion_nonloc::calculate_dispersion_nonloc(), qs_linres_atom_current::calculate_jrho_atom_coeff(), qs_rho_atom_methods::calculate_rho_atom_coeff(), qs_collocate_density::calculate_wavefunction(), qs_collocate_density::collocate_pgf_product_rspace(), scp_density_methods::collocate_scp_density(), hfx_energy_potential::coulomb4(), cp_ddapc_types::cp_ddapc_create(), eip_environment_types::eip_env_get(), eip_environment_types::eip_env_set(), manybody_potential::energy_manybody(), hfx_load_balance_methods::estimate_block_cost(), colvar_utils::eval_colv_low(), fist_pol_scf::eval_pol_ewald(), hfx_libint_interface::evaluate_deriv_eri(), cp_ddapc_forces::ewald_ddapc_force(), ewalds_multipole::ewald_multipole_bonded(), ewalds_multipole::ewald_multipole_evaluate(), ewalds_multipole::ewald_multipole_SR(), fist_force::fist_dipole(), fist_environment_types::fist_env_get(), fist_environment_types::fist_env_set(), fist_neighbor_list_types::fist_neighbor_add(), fist_pol_scf::fist_pol_evaluate(), fist_pol_scf::fist_pol_evaluate_cg(), fist_pol_scf::fist_pol_evaluate_sc(), force_env_types::force_env_get(), force_fields::force_field_control(), force_fields_util::force_field_pack(), force_fields_all::force_field_pack_shell(), fist_intra_force::force_intra_control(), hfx_derivatives::forces4(), md_conserved_quantities::get_econs_npe(), md_conserved_quantities::get_econs_nph_uniaxial(), md_conserved_quantities::get_econs_npt(), qs_neighbor_list_types::get_iterator_info(), mixed_environment_types::get_mixed_env(), constraint_util::getold(), constraint_util::getold_low(), helium_methods::helium_set_solute_cell(), hfx_types::hfx_create(), hfx_load_balance_methods::hfx_load_balance(), hfx_load_balance_methods::hfx_recursive_load_balance(), hfx_load_balance_methods::hfx_recursive_permute(), hfx_load_balance_methods::init_blocks(), qs_resp::init_resp(), qs_integrate_potential_low::integrate_pgf_product_rspace(), scp_density_methods::integrate_rhoscp_vrspace(), fist_neighbor_list_control::list_control(), mc_ge_moves::mc_ge_swap_move(), mp2_gpw::mp2_gpw_compute(), mp2_ri_gpw::mp2_ri_gpw_compute_in(), qs_loc_methods::optimize_loc_berry(), pw_poisson_methods::pw_poisson_rebuild(), qmmm_main::qmmm_create_force_env_low(), force_env_methods::qmmm_energy_and_forces_low(), qs_environment_methods::qs_env_setup(), qs_main::quickstep_create_force_env(), constraint_clv::rattle_colv_ext(), constraint_clv::rattle_colv_int(), constraint_clv::rattle_colv_low(), constraint::rattle_control(), constraint_clv::rattle_roll_colv_ext(), constraint_clv::rattle_roll_colv_int(), constraint_clv::rattle_roll_colv_low(), constraint::rattle_roll_control(), integrator_utils::rattle_roll_setup(), restraint::restraint_colv_low(), input_cp2k_restarts::section_coord_val_set(), mixed_environment_types::set_mixed_env(), manybody_siepmann::setup_siepmann_arrays(), constraint_clv::shake_colv_ext(), constraint_clv::shake_colv_int(), constraint_clv::shake_colv_low(), constraint::shake_control(), constraint_clv::shake_roll_colv_ext(), constraint_clv::shake_roll_colv_int(), constraint_clv::shake_roll_colv_low(), constraint::shake_roll_control(), manybody_siepmann::siep_a_ij(), manybody_siepmann::siep_a_ij_d(), manybody_siepmann::siep_Phi_ij(), manybody_siepmann::siep_Phi_ij_d(), manybody_siepmann::siepmann_energy(), manybody_siepmann::siepmann_forces_v3(), xas_methods::spectrum_dip_len(), topology_generate_util::topology_generate_bond(), qs_ks_atom::update_ks_atom(), topology_pdb::write_coordinate_pdb(), particle_types::write_particle_coordinates(), xc::xc_prep_2nd_deriv(), xc::xc_rho_set_and_dset_create(), xc_rho_set_types::xc_rho_set_update(), xc::xc_vxc_pw_create(), xc::xc_vxc_pw_create1(), xc::xc_vxc_pw_create_debug(), and xc::xc_vxc_pw_create_test_lsd().

! CP2K error USE cell_types

Definition at line 12 of file ewalds_multipole_debug.h.

! CP2K debug_r_space

Definition at line 12 of file ewalds_multipole_debug.h.

! CP2K ewald_pw

Definition at line 12 of file ewalds_multipole_debug.h.

Referenced by fist_pol_scf::fist_pol_evaluate(), qs_environment_types::get_qs_env(), and qs_environment_types::set_qs_env().

! CP2K error USE POINTER :: ewald_env POINTER :: ewald_pw POINTER :: nonbond_env POINTER :: cell & POINTER :: particle_set POINTER :: local_particles INTEGER

Definition at line 28 of file ewalds_multipole_debug.h.

! CP2K iw

Definition at line 12 of file ewalds_multipole_debug.h.

Referenced by neb_utils::build_replica_coords(), admm_methods::calc_mixed_overlap_force(), cp_ddapc_methods::ddapc_eval_AmI(), debug_ewald_multipoles(), debug_ewald_multipoles_fields(), debug_ewald_multipoles_fields2(), qmmm_gpw_forces::debug_integrate_gf_rspace_NoPBC(), qmmm_gpw_forces::debug_qmmm_forces_with_gauss_LG(), qmmm_gpw_forces::debug_qmmm_forces_with_gauss_LR(), fist_pol_scf::eval_pol_ewald(), ewalds_multipole::ewald_multipole_evaluate(), force_fields_all::force_field_pack_damp(), force_fields_all::force_field_pack_nonbond(), force_fields_all::force_field_pack_shell(), force_fields_all::force_field_pack_splines(), force_fields_all::force_field_pack_tors(), force_fields_all::force_field_pack_ub(), pair_potential::generate_spline_low(), neb_utils::get_neb_force(), mc_moves::mc_hmc_move(), mc_moves::mc_volume_move(), neb_utils::neb_calc_energy_forces(), neb_opt_utils::neb_ls(), qmmm_gpw_forces::qmmm_force_with_gaussian_low(), qmmm_gpw_forces::qmmm_forces_with_gaussian(), qmmm_gpw_forces::qmmm_forces_with_gaussian_LG(), qmmm_gpw_forces::qmmm_forces_with_gaussian_LR(), qmmm_init::setup_qmmm_links(), and pair_potential::spline_nonbond_control().