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(git:d18deda)
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(git:d18deda)
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Data Types | |
| type | fb_env_obj |
| the object container which allows for the creation of an array of pointers to fb_env More... | |
Functions/Subroutines | |
| subroutine | fb_env_retain (fb_env) |
| retains the given fb_env | |
| subroutine, public | fb_env_release (fb_env) |
| releases a given fb_env | |
| subroutine, public | fb_env_nullify (fb_env) |
| nullifies a fb_env object, note that this does not release the original object. This procedure is used mainly to nullify the pointer inside the object which is used to point to the actual data content of the object. | |
| logical function, public | fb_env_has_data (fb_env) |
| Checks if a fb_env object is associated with an actual data content or not. | |
| subroutine, public | fb_env_create (fb_env) |
| creates an empty fb_env object | |
| subroutine, public | fb_env_get (fb_env, rcut, filter_temperature, auto_cutoff_scale, eps_default, atomic_halos, trial_fns, collective_com, local_atoms, nlocal_atoms) |
| method to get attributes from a given fb_env object | |
| subroutine, public | fb_env_set (fb_env, rcut, filter_temperature, auto_cutoff_scale, eps_default, atomic_halos, trial_fns, collective_com, local_atoms, nlocal_atoms) |
| method to set attributes from a given fb_env object | |
| subroutine qs_fb_env_types::fb_env_retain | ( | type(fb_env_obj), intent(in) | fb_env | ) |
retains the given fb_env
| fb_env | : the fb_env to retain |
Definition at line 97 of file qs_fb_env_types.F.
| subroutine, public qs_fb_env_types::fb_env_release | ( | type(fb_env_obj), intent(inout) | fb_env | ) |
releases a given fb_env
...
| fb_env | : the fb_env to release |
Definition at line 111 of file qs_fb_env_types.F.
| subroutine, public qs_fb_env_types::fb_env_nullify | ( | type(fb_env_obj), intent(inout) | fb_env | ) |
nullifies a fb_env object, note that this does not release the original object. This procedure is used mainly to nullify the pointer inside the object which is used to point to the actual data content of the object.
| fb_env | : its content must be a NULL fb_env pointer on input, and the output returns an empty fb_env object |
Definition at line 144 of file qs_fb_env_types.F.
| logical function, public qs_fb_env_types::fb_env_has_data | ( | type(fb_env_obj), intent(in) | fb_env | ) |
Checks if a fb_env object is associated with an actual data content or not.
| fb_env | the fb_env object |
Definition at line 170 of file qs_fb_env_types.F.
| subroutine, public qs_fb_env_types::fb_env_create | ( | type(fb_env_obj), intent(inout) | fb_env | ) |
creates an empty fb_env object
| fb_env | : its content must be a NULL fb_env pointer on input, and the output returns an empty fb_env object |
Definition at line 183 of file qs_fb_env_types.F.
| subroutine, public qs_fb_env_types::fb_env_get | ( | type(fb_env_obj), intent(in) | fb_env, |
| real(kind=dp), dimension(:), optional, pointer | rcut, | ||
| real(kind=dp), intent(out), optional | filter_temperature, | ||
| real(kind=dp), intent(out), optional | auto_cutoff_scale, | ||
| real(kind=dp), intent(out), optional | eps_default, | ||
| type(fb_atomic_halo_list_obj), intent(out), optional | atomic_halos, | ||
| type(fb_trial_fns_obj), intent(out), optional | trial_fns, | ||
| logical, intent(out), optional | collective_com, | ||
| integer, dimension(:), optional, pointer | local_atoms, | ||
| integer, intent(out), optional | nlocal_atoms | ||
| ) |
method to get attributes from a given fb_env object
...
| fb_env | : the fb_env object in question |
| rcut | : outputs pointer to rcut attribute of fb_env (optional) |
| filter_temperature | : outputs filter_temperature attribute of fb_env (optional) |
| auto_cutoff_scale | : outputs auto_cutoff_scale attribute of fb_env (optional) |
| eps_default | : outputs eps_default attribute of fb_env (optional) |
| atomic_halos | : outputs pointer to atomic_halos attribute of fb_env (optional) |
| trial_fns | : outputs pointer to trial_fns attribute of fb_env (optional) |
| collective_com | : outputs pointer to trial_fns |
| local_atoms | : outputs pointer to local_atoms |
| nlocal_atoms | : outputs pointer to nlocal_atoms |
Definition at line 246 of file qs_fb_env_types.F.
| subroutine, public qs_fb_env_types::fb_env_set | ( | type(fb_env_obj), intent(inout) | fb_env, |
| real(kind=dp), dimension(:), optional, pointer | rcut, | ||
| real(kind=dp), intent(in), optional | filter_temperature, | ||
| real(kind=dp), intent(in), optional | auto_cutoff_scale, | ||
| real(kind=dp), intent(in), optional | eps_default, | ||
| type(fb_atomic_halo_list_obj), intent(in), optional | atomic_halos, | ||
| type(fb_trial_fns_obj), intent(in), optional | trial_fns, | ||
| logical, intent(in), optional | collective_com, | ||
| integer, dimension(:), optional, pointer | local_atoms, | ||
| integer, intent(in), optional | nlocal_atoms | ||
| ) |
method to set attributes from a given fb_env object
...
| fb_env | : the fb_env object in question |
| rcut | : sets rcut attribute of fb_env (optional) |
| filter_temperature | : sets filter_temperature attribute of fb_env (optional) |
| auto_cutoff_scale | : sets auto_cutoff_scale attribute of fb_env (optional) |
| eps_default | : sets eps_default attribute of fb_env (optional) |
| atomic_halos | : sets atomic_halos attribute of fb_env (optional) |
| trial_fns | : sets trial_fns attribute of fb_env (optional) |
| collective_com | : sets collective_com attribute of fb_env (optional) |
| local_atoms | : sets local_atoms attribute of fb_env (optional) |
| nlocal_atoms | : sets nlocal_atoms attribute of fb_env (optional) |
Definition at line 304 of file qs_fb_env_types.F.
1.9.8