setup_dortmund Function

public function setup_dortmund(molecules, parameters)

Uses

  • proc~~setup_dortmund~~UsesGraph proc~setup_dortmund setup_dortmund module~yaeos__models_ge_group_contribution_unifac_parameters yaeos__models_ge_group_contribution_unifac_parameters proc~setup_dortmund->module~yaeos__models_ge_group_contribution_unifac_parameters module~yaeos__constants yaeos__constants module~yaeos__models_ge_group_contribution_unifac_parameters->module~yaeos__constants module~yaeos__models_ge_group_contribution_model_parameters yaeos__models_ge_group_contribution_model_parameters module~yaeos__models_ge_group_contribution_unifac_parameters->module~yaeos__models_ge_group_contribution_model_parameters iso_fortran_env iso_fortran_env module~yaeos__constants->iso_fortran_env module~yaeos__models_ge_group_contribution_model_parameters->module~yaeos__constants

Arguments

Type IntentOptional Attributes Name
type(Groups), intent(in) :: molecules(:)
type(GeGCModelParameters), intent(in), optional :: parameters

Return Value type(UNIFAC)


Calls

proc~~setup_dortmund~~CallsGraph proc~setup_dortmund setup_dortmund proc~dortmundparameters DortmundParameters proc~setup_dortmund->proc~dortmundparameters proc~get_subgroups_aij GeGCModelParameters%get_subgroups_aij proc~setup_dortmund->proc~get_subgroups_aij proc~get_subgroups_bij GeGCModelParameters%get_subgroups_bij proc~setup_dortmund->proc~get_subgroups_bij proc~get_subgroups_cij GeGCModelParameters%get_subgroups_cij proc~setup_dortmund->proc~get_subgroups_cij proc~setup_unifac setup_unifac proc~setup_dortmund->proc~setup_unifac proc~get_maingroup_index GeGCModelParameters%get_maingroup_index proc~get_subgroups_aij->proc~get_maingroup_index proc~get_subgroup_maingroup GeGCModelParameters%get_subgroup_maingroup proc~get_subgroups_aij->proc~get_subgroup_maingroup proc~get_subgroups_bij->proc~get_maingroup_index proc~get_subgroups_bij->proc~get_subgroup_maingroup proc~get_subgroups_cij->proc~get_maingroup_index proc~get_subgroups_cij->proc~get_subgroup_maingroup proc~setup_unifac->proc~get_subgroups_aij proc~check_consistency GeGCModelParameters%check_consistency proc~setup_unifac->proc~check_consistency proc~get_subgroup_q GeGCModelParameters%get_subgroup_Q proc~setup_unifac->proc~get_subgroup_q proc~get_subgroup_r GeGCModelParameters%get_subgroup_R proc~setup_unifac->proc~get_subgroup_r proc~thetas_i thetas_i proc~setup_unifac->proc~thetas_i proc~unifacparameters UNIFACParameters proc~setup_unifac->proc~unifacparameters proc~get_subgroup_index GeGCModelParameters%get_subgroup_index proc~get_subgroup_maingroup->proc~get_subgroup_index proc~get_subgroup_q->proc~get_subgroup_index proc~get_subgroup_r->proc~get_subgroup_index proc~thetas_i->proc~get_subgroup_q

Variables

Type Visibility Attributes Name Initial
real(kind=pr), public, allocatable :: Aij(:,:)
real(kind=pr), public, allocatable :: Bij(:,:)
real(kind=pr), public, allocatable :: Cij(:,:)
integer, public :: i
integer, public :: j
integer, public :: ng
type(GeGCModelParameters), public :: params
type(QuadraticPsi), public :: psi_function
type(Groups), public :: soup