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Version @PHREEQC_VER@: @PHREEQC_DATE@
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March 2, 2021
-------------
PhreeqcRM: Added new methods to retrieve and set the volumes
of the gas phases in the cells. GetGasPhaseVolume retrieves
the volume of the gas phase in each cell. The value is set
to -1.0 for cells that do not have a gas phase.
SetGasPhaseVolume only applies to fixed-volume gas phases.
An array of gas volumes is applied to the gas phases in the
cells. If the volume is negative for a cell, the gas volume
in the cell remains unchanged. If the volume is greater or
equal to zero, the volume is applied to the cell, and the
gas phase is forced to be a fixed-volume gas phase.
C++:
IRM_RESULT GetGasPhaseVolume(std::vector<double>& gas_pressure);
IRM_RESULT setGasPhaseVolume(const std::vector<double>& gas_pressure);
Size of the vector is nxyz, the number of cells in the
transport model.
C:
IRM_RESULT RM_GetGasPhaseVolume(int id, double* gas_volume);
IRM_RESULT RM_SetGasPhaseVolume(int id, double* gas_volume);
Size of the array is nxyz*sizeof(double), where nxyz is the
number of cells in the transport model.
Fortran90:
IRM_RESULT RM_GetGasPhaseVolume(int id, double precision gas_volume(:));
IRM_RESULT RM_SetGasPhaseVolume(int id, double precision gas_volume(:));
The array is dimensioned nxyz, the number of cells in the
transport model.
See HTML documentation of PhreeqcRM in download distributions or
https://water.usgs.gov/water-resources/software/PHREEQC/documentation/phreeqcrm/.
-----------------
February 26, 2021
-----------------
PhreeqcRM: Added new methods to retrieve values for
gas components in each cell--moles, pressures, and
fugacity coefficients (phi). A list of gas components is
accumulated by call(s) to FindComponents, and retrieved
by the method GetGasComponents. An array containing
moles of components for each cell in the transport model
is retrieved with GetGasCompMoles; similarly for
GetGasCompPressures, and GetGasCompPhi. If GAS_PHASE is not
defined for a cell or a GAS_PHASE does not contain a component,
the array will contain the value -1.0 in those positions.
Fugacities of gas components can be calculated as the product
of the pressure and fugcity coefficient.
Moles of gas components in the chemistry cells can be set
with the method SetGasCompMoles. A negative value is used to
represent components that are absent from a cell.
C++:
IRM_RESULT GetGasCompMoles(std::vector<double>& gas_moles);
IRM_RESULT GetGasCompPressures(std::vector<double>& gas_pressure);
IRM_RESULT GetGasCompPhi(std::vector<double>& gas_phi);
IRM_RESULT SetGasCompMoles(const std::vector<double>& gas_moles);
The argument of each method is a vector of size nxyz*ngcomps, where
nxyz is the number of cells in the transport model and ngcomps is
the number of gas components returned by GetGasComponentCount.
C:
IRM_RESULT RM_GetGasCompMoles(int id, double* gas_moles);
IRM_RESULT RM_GetGasCompPressures(int id, double* gas_pressure);
IRM_RESULT RM_GetGasCompPhi(int id, double* gas_phi);
IRM_RESULT RM_SetGasCompMoles(int id, double* gas_moles);
For each function, the first argument(id) is an integer, and
the second argument is an array of size nxyz*ngcomps*sizeof(double),
where nxyz is the number of cells in the transport model and
ngcomps is the number of gas components returned by
RM_GetGasComponentCount.
Fortran90:
INTEGER FUNCTION RM_GetGasCompMoles(id, gas_moles)
INTEGER FUNCTION RM_GetGasCompPressures(id, gas_pressures)
INTEGER FUNCTION RM_GetGasCompPhi(id, gas_phi)
INTEGER FUNCTION RM_SetGasCompMoles(id, gas_moles)
For each function, the first argument (id) is an integer, and
the second argument is a two dimensional array dimensioned
(nxyz,ngcomps), where nxyz is the number of cells in the transport
model and ngcomps is the number of gas components returned by
RM_GetGasComponentCount.
See HTML documentation of PhreeqcRM in download distributions or
https://water.usgs.gov/water-resources/software/PHREEQC/documentation/phreeqcrm/.
-----------------
February 21, 2021
-----------------
PhreeqcRM: Added a new method to retrieve log10 molality (mol/kgw)
of aqueous species.
C++:
IRM_RESULT GetSpeciesLog10Molalities (std::vector< double > &species_log10molalities)
C:
IRM_RESULT RM_GetSpeciesLog10Molalities(int id, double * species_log10molalities)
Fortran90:
integer function RM_GetSpeciesLog10Molalities(id, species_log10molalities)
The first argument (id) is an integer, and the second argument is a
two dimensional array dimensioned (nxyz,nspecies).
See HTML documentation of PhreeqcRM in download distributions or
https://water.usgs.gov/water-resources/software/PHREEQC/documentation/phreeqcrm/.
-----------------
February 20, 2021
-----------------
Phreeqc: Added optional 6th argument to Basic function SYS that
controls the sort order of the output. If the argument is absent or
equal to 0, the sort order of species is from highest to lowest
based on the 5th field. If the 6th argument is a nonzero integer,
then the sort order is alphabetically based on the 3rd field.
Sort by 5th field (moles):
SYS("element", count , name$ , type$ , moles)
SYS("element", count , name$ , type$ , moles, 0)
Sort by 3rd field (name$):
SYS("element", count , name$ , type$ , moles, 1)
-----------------
February 19, 2021
-----------------
PhreeqcRM: Fixed zero divide dumping one-cell model.
.
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November 24, 2020
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