#include "cp_common_uses.h"
Include dependency graph for ewald_environment_types.f90:
Go to the source code of this file.
Classes | |
| struct | ewald_environment_types::ewald_environment_type |
| to build arrays of pointers More... | |
| struct | ewald_environment_types::ewald_environment_p_type |
| to build arrays of pointers More... | |
Namespaces | |
| namespace | ewald_environment_types |
Functions | |
| subroutine, public | ewald_environment_types::ewald_env_get (ewald_env, ewald_type, alpha, eps_pol, epsilon, gmax, ns_max, o_spline, group, para_env, id_nr, poisson_section, precs, rcut, do_multipoles, max_multipole, do_ipol, max_ipol_iter, interaction_cutoffs, error) |
| Purpose: Get the EWALD environment. | |
| subroutine, public | ewald_environment_types::ewald_env_set (ewald_env, ewald_type, alpha, epsilon, eps_pol, gmax, ns_max, precs, o_spline, para_env, id_nr, poisson_section, interaction_cutoffs, error) |
| Purpose: Set the EWALD environment. | |
| subroutine, public | ewald_environment_types::ewald_env_create (ewald_env, para_env, error) |
| allocates and intitializes a ewald_env | |
| subroutine, public | ewald_environment_types::ewald_env_retain (ewald_env, error) |
| retains the given ewald_env (see doc/ReferenceCounting.html) | |
| subroutine, public | ewald_environment_types::ewald_env_release (ewald_env, error) |
| releases the given ewald_env (see doc/ReferenceCounting.html) | |
| subroutine, public | ewald_environment_types::read_ewald_section (ewald_env, ewald_section, error) |
| Purpose: read the EWALD section. | |
| REAL(KIND=dp) | ewald_environment_types::find_ewald_optimal_value (precs, error) |
| triggers (by bisection) the optimal value for EWALD parameter x EXP(-x^2)/x^2 = EWALD_ACCURACY | |
Variables | |
| CHARACTER(len=*), parameter, private | ewald_environment_types::moduleN = 'ewald_environment_types' |
| INTEGER, save, private | ewald_environment_types::last_ewald_env_id_nr = 0 |
