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Commit 7e0ef930 authored by David Parkhurst's avatar David Parkhurst Committed by Scott Charlton
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Added documentation for new methods in Release.txt

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Version @PHREEQC_VER@: @PHREEQC_DATE@
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June 27, 2018
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......@@ -9,12 +8,13 @@ PhreeqcRM: Added methods to provide lists of exchange species, surface species,
reactants, and relevant minerals and gases defined in the reaction module. The lists
are derived from the SOLUTION, EXCHANGE, SURFACE, EQUILIBRIUM_PHASES, GAS_PHASES,
and KINETICS definitions in the "initial phreeqc" IPhreeqc object.
See documentation of PhreeqcRM in download distributions.
-----------
C++ methods
-----------
Exchange
EXCHANGE
--------
Number of exchange species
int GetExchangeSpeciesCount(void)
......@@ -76,6 +76,138 @@ Names of phases in the reaction module; suitable for definitions of
-si in SELECTED_OUTPUT
const std::vector<std::string> & GetSINames(void)
---------------
Fortran methods
---------------
Exchange
--------
Number of exchange species
integer function RM_GetExchangeSpeciesCount(id)
Name of exchange species (for example, NaX)
integer function RM_GetExchangeSpeciesName(id, i, line)
Name of exchanger in exchange species (for example, X)
integer function RM_GetExchangeName(id, i, line1)
Surface
-------
Number of surface species
integer function RM_GetSurfaceSpeciesCount(id)
Name of all surface species (for example Hfo_wOH)
integer function RM_GetSurfaceSpeciesName(id, i, line)
Surface type for surface species (for example Hfo_w)
integer function RM_GetSurfaceType(id, i, line1)
Surface name for surface species (for example Hfo)
integer function RM_GetSurfaceName(id, i, line2)
Equilibrium phases
------------------
Number of equilibrium phases
integer function RM_GetEquilibriumPhasesCount(id)
Name of equilibrium phase; suitable for definitions of -equilibrium_phases
in SELECTED_OUTPUT
integer function RM_GetEquilibriumPhasesName(id, i, line)
Gas phase components
--------------------
Number of gas phase components
integer function RM_GetGasComponentsCount(id)
Name of gas phase component; suitable for definitions of -gas
in SELECTED_OUTPUT
integer function RM_GetGasComponentsName(id, i, line)
Kinetics
--------
Number of kinetic reactions
integer function RM_GetKineticReactionsCount(id)
Name of kinetic reaction; suitable for definitions of -kinetics
in SELECTED_OUTPUT
integer function RM_GetKineticReactionsName(id, i, line)
Solid solutions
---------------
Number of solid solution components
integer function RM_GetSolidSolutionComponentsCount(id)
Name of solid solution component; suitable for definitions of
-solid_solution in SELECTED_OUTPUT
integer function RM_GetSolidSolutionComponentsName(id, i, line)
Solid solution name containing the solid solution component
integer function RM_GetSolidSolutionName(id, i, line1)
Saturation index phases
-----------------------
Number of phases appropriate for the elements defined in the reaction module
integer function RM_GetSICount(id)
Name of phase in the reaction module; suitable for definitions of
-si in SELECTED_OUTPUT
integer function RM_GetSIName(id, i, line)
---------------
C methods
---------------
Exchange
--------
Number of exchange species
int RM_GetExchangeSpeciesCount(id)
Name of exchange species (for example, NaX)
IRM_RESULT RM_GetExchangeSpeciesName(id, i, line1, length)
Name of exchanger in exchange species (for example, X)
IRM_RESULT RM_GetExchangeName(id, i, line1, length)
Surface
-------
Number of surface species
int RM_GetSurfaceSpeciesCount(id)
Name of all surface species (for example Hfo_wOH)
IRM_RESULT RM_GetSurfaceSpeciesName(id, i, line, length)
Surface type for surface species (for example Hfo_w)
IRM_RESULT RM_GetSurfaceType(id, i, line1, length)
Surface name for surface species (for example Hfo)
IRM_RESULT RM_GetSurfaceName(id, i, line2, length)
Equilibrium phases
------------------
Number of equilibrium phases
int RM_GetEquilibriumPhasesCount(id)
Name of equilibrium phase; suitable for definitions of -equilibrium_phases
in SELECTED_OUTPUT
IRM_RESULT RM_GetEquilibriumPhasesName(id, i, line, length)
Gas phase components
--------------------
Number of gas phase components
int RM_GetGasComponentsCount(id)
Name of gas phase component; suitable for definitions of -gas
in SELECTED_OUTPUT
IRM_RESULT RM_GetGasComponentsName(id, i, line, length)
Kinetics
--------
Number of kinetic reactions
int RM_GetKineticReactionsCount(id)
Name of kinetic reaction; suitable for definitions of -kinetics
in SELECTED_OUTPUT
IRM_RESULT RM_GetKineticReactionsName(id, i, line, length)
Solid solutions
---------------
Number of solid solution components
int RM_GetSolidSolutionComponentsCount(id)
Name of solid solution component; suitable for definitions of
-solid_solution in SELECTED_OUTPUT
IRM_RESULT RM_GetSolidSolutionComponentsName(id, i, line, length)
Solid solution name containing the solid solution component
IRM_RESULT RM_GetSolidSolutionName(id, i, line1, length)
Saturation index phases
-----------------------
Number of phases appropriate for the elements defined in the reaction module
int RM_GetSICount(id)
Name of phase in the reaction module; suitable for definitions of
-si in SELECTED_OUTPUT
IRM_RESULT RM_GetSIName(id, i, line, length)
-----------------
June 24, 2018
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......@@ -106,7 +238,6 @@ PHREEQC's choice can be manipulated, adding a surface with a very small number o
and a tiny Donnan layer in cell 3 and/or the cells it diffuses into, and similar
for cell [2 + stagnant cells]. See example opa_col3.phr (http://www.hydrohemistry.eu).
A Donnan layer on SURFACEs can now be calculated with the Pitzer database.
Bug-fixes for option -numerical_derivatives in KNOBS, setting it true may
......@@ -123,16 +254,23 @@ Streamlined the output of -debug_prep in KNOBS. Added options
The numbers in the matrix for CLI can be inspected in
my_array[row * (count_unknowns + 1) + col].
-----------------
May 1, 2018
-----------------
PhreeqcRM: Added new methods to retrieve log10 activity coefficients
of aqueous species: GetSpeciesLog10Gammas(lg) (C++) and
RM_GetSpeciesLog10Gammas(lg) (C++ and Fortran).
See documentation of PhreeqcRM in download distributions
of aqueous species.
C++ method:
IRM_RESULT GetSpeciesLog10Gammas (std::vector< double > &species_log10gammas)
Fortran method:
integer function RM_GetSpeciesLog10Gammas(integer, intent(in) id,
double precision, dimension(:,:), intent(out) species_log10gammas)
C method:
IRM_RESULT RM_GetSpeciesLog10Gammas(int id, double * species_log10gammas)
See documentation of PhreeqcRM in download distributions.
-----------------
April 28, 2018
......
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