multi_phreeqc Module Reference

All the subroutines required to handle the connection with PHREEQCRM. More...

Functions/Subroutines
subroutine	init_phreeqc (Mdims, packed_state, id, concetration_phreeqc, after_adapt)
	This subroutine is used to initialise all the necessary parameters that PHREEQCRM requires. Reaction types, concentration units, number of components to transport... More...
subroutine	run_phreeqc (Mdims, packed_state, id, concetration_phreeqc)
	Call PHREEQCRM and compute the reactions of the fields defined associated with the input ID. More...
subroutine	deallocate_phreeqc (id)
character(len=option_path_len) function	get_packed_species_name (PHREEQC_name, old_field)
	: Finds the field name in diamond given a name in PHREEQC. Fields have the convention of being named in ICFERST as SPECIES_component, for example Species_O for oxygen. More...

Detailed Description

All the subroutines required to handle the connection with PHREEQCRM.

Function/Subroutine Documentation

deallocate_phreeqc()

subroutine multi_phreeqc::deallocate_phreeqc

(

integer, intent(in)

id

)

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get_packed_species_name()

character (len = option_path_len) function multi_phreeqc::get_packed_species_name	(	character(len = *), intent(in)	PHREEQC_name,
		logical, intent(in)	old_field
	)

: Finds the field name in diamond given a name in PHREEQC. Fields have the convention of being named in ICFERST as SPECIES_component, for example Species_O for oxygen.

Author

Geraldine Regnier, Pablo Salinas

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init_phreeqc()

subroutine multi_phreeqc::init_phreeqc	(	type(multi_dimensions), intent(in)	Mdims,
		type( state_type ), intent(inout)	packed_state,
		integer, intent(out)	id,
		real, dimension(:,:), intent(out), allocatable	concetration_phreeqc,
		logical, intent(in)	after_adapt
	)

This subroutine is used to initialise all the necessary parameters that PHREEQCRM requires. Reaction types, concentration units, number of components to transport...

Parameters

Mdims	Data type storing all the dimensions describing the mesh, fields, nodes, etc
packed_state	Linked list containing all the fields used by IC-FERST, memory partially shared with state
id.	ID associated with the settings specified here so PHREEQCRM can now it is doing the same thing
concetration_phreeqc	OUT. Memory to be used to communicate with PHREEQC
after_adapt.	True after adapting the mesh to redo this

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run_phreeqc()

subroutine multi_phreeqc::run_phreeqc	(	type(multi_dimensions), intent(in)	Mdims,
		type( state_type ), intent(inout)	packed_state,
		integer, intent(inout)	id,
		real, dimension(:,:), intent(inout)	concetration_phreeqc
	)

Call PHREEQCRM and compute the reactions of the fields defined associated with the input ID.

Parameters

Mdims	Data type storing all the dimensions describing the mesh, fields, nodes, etc
packed_state	Linked list containing all the fields used by IC-FERST, memory partially shared with state
id.	ID associated with the settings specified here so PHREEQCRM can now it is doing the same thing
concetration_phreeqc	INOUT. Memory to be used to communicate with PHREEQC

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