yaeos__models_ge_group_contribution_groups Module


Uses

  • module~~yaeos__models_ge_group_contribution_groups~~UsesGraph module~yaeos__models_ge_group_contribution_groups yaeos__models_ge_group_contribution_groups module~yaeos__constants yaeos__constants module~yaeos__models_ge_group_contribution_groups->module~yaeos__constants iso_fortran_env iso_fortran_env module~yaeos__constants->iso_fortran_env

Used by

  • module~~yaeos__models_ge_group_contribution_groups~~UsedByGraph module~yaeos__models_ge_group_contribution_groups yaeos__models_ge_group_contribution_groups module~yaeos__models_ge_gc_td yaeos__models_ge_gc_td module~yaeos__models_ge_gc_td->module~yaeos__models_ge_group_contribution_groups module~yaeos__models_ge_group_contribution_dortmund yaeos__models_ge_group_contribution_dortmund module~yaeos__models_ge_group_contribution_dortmund->module~yaeos__models_ge_group_contribution_groups module~yaeos__models_ge_group_contribution_dortmund->module~yaeos__models_ge_gc_td module~yaeos__models_ge_group_contribution_unifac yaeos__models_ge_group_contribution_unifac module~yaeos__models_ge_group_contribution_dortmund->module~yaeos__models_ge_group_contribution_unifac module~yaeos__models_ge_group_contribution_psrk yaeos__models_ge_group_contribution_psrk module~yaeos__models_ge_group_contribution_psrk->module~yaeos__models_ge_group_contribution_groups module~yaeos__models_ge_group_contribution_psrk->module~yaeos__models_ge_gc_td module~yaeos__models_ge_group_contribution_psrk->module~yaeos__models_ge_group_contribution_unifac module~yaeos__models_ge_group_contribution_unifac->module~yaeos__models_ge_group_contribution_groups module~yaeos__models_ge_group_contribution_unifac->module~yaeos__models_ge_gc_td proc~psrk PSRK proc~psrk->module~yaeos__models_ge_group_contribution_groups module~yaeos__models_ge_implementations yaeos__models_ge_implementations proc~psrk->module~yaeos__models_ge_implementations module~yaeos__models_ge_implementations->module~yaeos__models_ge_group_contribution_dortmund module~yaeos__models_ge_implementations->module~yaeos__models_ge_group_contribution_psrk module~yaeos__models_ge_implementations->module~yaeos__models_ge_group_contribution_unifac module~yaeos__models yaeos__models module~yaeos__models->module~yaeos__models_ge_implementations module~yaeos yaeos module~yaeos->module~yaeos__models

Derived Types

type, public ::  Groups

Derived type used to represent a molecule and its UNIFAC groups.

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Components

Type Visibility Attributes Name Initial
integer, public, allocatable :: groups_ids(:)

Indexes (ids) of each subgroup in the main group matrix
integer, public, allocatable :: number_of_groups(:)

Occurrences of each subgroup in the molecule
real(kind=pr), public :: surface_area

Molecule surface area

real(kind=pr), public :: volume

Molecule volume