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subroutine, public | ewald_environment_types::ewald_env_get (ewald_env, ewald_type, alpha, eps_pol, epsilon, gmax, ns_max, o_spline, group, para_env, poisson_section, precs, rcut, do_multipoles, max_multipole, do_ipol, max_ipol_iter, interaction_cutoffs, cell_hmat) |
| Purpose: Get the EWALD environment. More...
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subroutine, public | ewald_environment_types::ewald_env_set (ewald_env, ewald_type, alpha, epsilon, eps_pol, gmax, ns_max, precs, o_spline, para_env, poisson_section, interaction_cutoffs, cell_hmat) |
| Purpose: Set the EWALD environment. More...
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subroutine, public | ewald_environment_types::ewald_env_create (ewald_env, para_env) |
| allocates and intitializes a ewald_env More...
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subroutine, public | ewald_environment_types::ewald_env_release (ewald_env) |
| releases the given ewald_env (see doc/ReferenceCounting.html) More...
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subroutine, public | ewald_environment_types::read_ewald_section (ewald_env, ewald_section) |
| Purpose: read the EWALD section. More...
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subroutine, public | ewald_environment_types::read_ewald_section_tb (ewald_env, ewald_section, hmat) |
| Purpose: read the EWALD section for TB methods. More...
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