Documentation for module helium_types

Data types representing superfluid helium

source: helium_types.F
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public Types:

helium_solvent_type
data structure for solvent helium
helium_solvent_p_type
data structure for array of solvent helium environments
int_arr_ptr
A pointer to an integer array, data type to be used in arrays of pointers.

public Subroutines/Functions:

Deallocate all arrays pointed to by the pointers stored in the integer pointer array

Parameters:

INTEGER
:: e_id_interact = 4
INTEGER
:: e_id_kinetic = 3
INTEGER
:: e_id_potential = 2
INTEGER
:: e_id_thermo = 5
INTEGER
:: e_id_total = 1
INTEGER
:: e_id_virial = 6
INTEGER
:: e_num_ids = 10
REAL(dp)
:: he_mass = 4.00263037059764_dp
INTEGER
:: hid_carbon = 4
INTEGER
:: hid_chlorine = 1
INTEGER
:: hid_hydrogen = 3
INTEGER
:: hid_num = 4
INTEGER
:: hid_oxygen = 2
INTEGER
:: rho_atom_number = 1
INTEGER
:: rho_moment_of_inertia = 5
INTEGER
:: rho_num = 5
INTEGER
:: rho_projected_area = 2
INTEGER
:: rho_winding_cycle = 4
INTEGER
:: rho_winding_number = 3

public Types:

TYPE :: helium_solvent_p_type

data structure for array of solvent helium environments


POINTER :: helium ...
INTEGER
:: comm ...
INTEGER,
DIMENSION(:), POINTER :: env_all ...

TYPE :: helium_solvent_type

data structure for solvent helium


INTEGER
:: id_nr ...
INTEGER
:: ref_count ...
POINTER :: input ...
POINTER :: logger ...
INTEGER
:: num_env ...
INTEGER
:: atoms ...
INTEGER
:: beads ...
INTEGER
:: bead_ratio ...
REAL(dp)
:: density ...
REAL(dp)
:: hb2m ...
REAL(dp)
:: tau ...
REAL(dp)
:: wpref ...
REAL(dp)
:: apref ...
LOGICAL
:: periodic ...
INTEGER
:: cell_shape ...
REAL(dp)
:: cell_size ...
REAL(dp)
:: cell_size_inv ...
REAL(dp),
DIMENSION(3,3) :: cell_m ...
REAL(dp),
DIMENSION(3,3) :: cell_m_inv ...
REAL(dp),
DIMENSION(3) :: origin ...
REAL(dp)
:: droplet_radius ...
REAL(dp),
DIMENSION(3) :: center ...
INTEGER
:: sampling_method ...
INTEGER
:: iter_norot ...
INTEGER
:: iter_rot ...
INTEGER
:: maxcycle ...
INTEGER
:: m_dist_type ...
INTEGER
:: m_value ...
REAL(dp)
:: m_ratio ...
INTEGER
:: relrot ...
INTEGER
:: bisection ...
INTEGER
:: bisctlog2 ...
REAL(dp)
:: e_corr ...
INTEGER
:: pdx ...
INTEGER
:: num_steps ...
INTEGER
:: first_step ...
INTEGER
:: last_step ...
INTEGER
:: current_step ...
REAL(dp),
DIMENSION(:,:,:), POINTER :: pos ...
REAL(dp),
DIMENSION(:,:,:), POINTER :: work ...
INTEGER,
DIMENSION(:), POINTER :: permutation ...
INTEGER,
DIMENSION(:), POINTER :: iperm ...
INTEGER,
DIMENSION(:), POINTER :: ptable ...
INTEGER(int_8)
:: accepts ...
REAL(dp),
DIMENSION(:,:), POINTER :: tmatrix ...
REAL(dp),
DIMENSION(:,:), POINTER :: pmatrix ...
REAL(dp)
:: pweight ...
REAL(dp),
DIMENSION(:,:), POINTER :: ipmatrix ...
INTEGER,
DIMENSION(:,:), POINTER :: nmatrix ...
DIMENSION(:,:), POINTER :: uij ...
DIMENSION(:,:), POINTER :: eij ...
REAL(dp),
DIMENSION(E_NUM_IDS) :: energy_inst ...
REAL(dp),
DIMENSION(E_NUM_IDS) :: energy_avrg ...
:: wnumber ...
:: wnmber2 ...
:: proarea ...
:: prarea2 ...
:: mominer ...
INTEGER
:: averages_iweight ...
LOGICAL
:: averages_restarted ...
REAL(dp)
:: link_action ...
REAL(dp)
:: inter_action ...
REAL(dp)
:: pair_action ...
INTEGER
:: rdf_nbin ...
INTEGER
:: rdf_iweight ...
INTEGER
:: rho_iweight ...
INTEGER
:: rdf_num ...
INTEGER
:: rdf_num_ctr ...
REAL(dp)
:: rdf_delr ...
REAL(dp)
:: rdf_maxr ...
REAL(dp),
DIMENSION(:), POINTER :: rdf_centers ...
REAL(dp),
DIMENSION(:,:,:), POINTER :: rdf_inst ...
REAL(dp),
DIMENSION(:,:,:), POINTER :: rdf_rstr ...
REAL(dp),
DIMENSION(:,:,:), POINTER :: rdf_accu ...
LOGICAL
:: rdf_present ...
INTEGER
:: rho_nbin ...
INTEGER
:: rho_num_act ...
INTEGER
:: rho_num_min_len_wdg ...
INTEGER
:: rho_num_min_len_non ...
INTEGER
:: rho_num_min_len_all ...
INTEGER,
DIMENSION(:), POINTER :: rho_min_len_wdg_vals ...
INTEGER,
DIMENSION(:), POINTER :: rho_min_len_non_vals ...
INTEGER,
DIMENSION(:), POINTER :: rho_min_len_all_vals ...
REAL(dp)
:: rho_delr ...
REAL(dp)
:: rho_maxr ...
REAL(dp),
DIMENSION(:,:,:,:), POINTER :: rho_inst ...
REAL(dp),
DIMENSION(:,:,:,:), POINTER :: rho_rstr ...
REAL(dp),
DIMENSION(:,:,:,:), POINTER :: rho_accu ...
LOGICAL
:: rho_present ...
REAL(dp),
DIMENSION(:,:,:), POINTER :: rho_incr ...
DIMENSION(:), POINTER :: rho_property ...
REAL(dp),
DIMENSION(:,:), POINTER :: num_accepted ...
REAL(dp),
DIMENSION(:), POINTER :: plength_avrg ...
REAL(dp),
DIMENSION(:), POINTER :: plength_inst ...
INTEGER,
DIMENSION(:), POINTER :: atom_plength ...
POINTER :: rng_stream_uniform ...
POINTER :: rng_stream_gaussian ...
LOGICAL
:: solute_present ...
INTEGER
:: solute_atoms ...
INTEGER
:: solute_beads ...
INTEGER
:: get_helium_forces ...
CHARACTER(2),
DIMENSION(:), POINTER :: solute_element ...
DIMENSION(:), POINTER :: solute_i ...
TYPE(cell_type),
POINTER :: solute_cell ...
REAL(dp),
DIMENSION(:,:), POINTER :: force_avrg ...
REAL(dp),
DIMENSION(:,:), POINTER :: force_inst ...
CHARACTER(2),
DIMENSION(:), POINTER :: ename ...
INTEGER,
DIMENSION(:), POINTER :: eid ...
INTEGER
:: enum ...
INTEGER
:: solute_interaction ...
LOGICAL
:: interaction_pot_scan ...
INTEGER,
DIMENSION(:), POINTER :: itmp_atoms_1d ...
INTEGER,
DIMENSION(:), POINTER :: itmp_atoms_np_1d ...
REAL(dp),
DIMENSION(:), POINTER :: rtmp_3_np_1d ...
REAL(dp),
DIMENSION(:), POINTER :: rtmp_p_ndim_1d ...
REAL(dp),
DIMENSION(:), POINTER :: rtmp_p_ndim_np_1d ...
REAL(dp),
DIMENSION(:), POINTER :: rtmp_3_atoms_beads_1d ...
REAL(dp),
DIMENSION(:), POINTER :: rtmp_3_atoms_beads_np_1d ...
REAL(dp),
DIMENSION(:,:), POINTER :: rtmp_p_ndim_2d ...
LOGICAL,
DIMENSION(:,:,:), POINTER :: ltmp_3_atoms_beads_3d ...
LOGICAL,
DIMENSION(:), POINTER :: ltmp_atoms_1d ...

TYPE :: int_arr_ptr

A pointer to an integer array, data type to be used in arrays of pointers.


INTEGER,
DIMENSION(:), POINTER :: iap ...

SUBROUTINEhelium_destroy_int_arr_ptr(int_arr_p)

Deallocate all arrays pointed to by the pointers stored in the integer pointer array

Arguments:
POINTER
:: int_arr_p(:) ...

private Parameters/Types:

private Types:

TYPE :: density_properties_type

Container type for properties of a helium density function


:: name ...
LOGICAL
:: is_calculated ...
INTEGER
:: num_components ...
DIMENSION(:), POINTER :: filename_suffix ...
DIMENSION(:), POINTER :: component_name ...
INTEGER,
DIMENSION(:), POINTER :: component_index ...

TYPE :: helium_vector_type

Vector type useful for averaging


REAL(dp),
DIMENSION(3) :: inst ...
REAL(dp),
DIMENSION(3) :: accu ...
REAL(dp),
DIMENSION(3) :: ravr ...
REAL(dp),
DIMENSION(3) :: rstr ...