Modifying for next release.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7908 1feff8c3-07ed-0310-ac33-dd36852eb9cd
This commit is contained in:
David L Parkhurst 2013-08-12 15:21:11 +00:00
parent 7f48b41e1b
commit 0541db32c0

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@ -1,4 +1,70 @@
Version @PHREEQC_VER@: @PHREEQC_DATE@
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svn ****
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A revised version of the manual is now distributed as a
compiled HTML file (phreeqc3.chm). It has corrections and
new features highlighted in forest green.
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svn ****
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Now can have multiple SELECTED_OUTPUT n and USER_PUNCH n.
SELECTED_OUTPUT 1 has the same functionality as previous
versions of SELECTED_OUTPUT, with a set of default print
definitions. SELECTED_OUTPUT n, where n is not equal to 1,
has no fields initially defined; it is equivalent to an
automatic -reset false.
A file may be defined for each SELECTED_OUTPUT n that will
recieve the output from the data block. Using i to
represent a specific integer, USER_PUNCH i will write to
the file defined for SELECTED_OUTPUT i. If USER_PUNCH i is
defined, but SELECTED_OUTPUT i is not, then no data will
be written from USER_PUNCH i.
Printing to the selected-output files is controlled
by three identifiers. PRINT; -selected_output true/false
will enable/disable printing of all selected-output
files. For an individual SELECTED_OUTPUT i definition,
-active true/false will enable/disable both
SELECTED_OUTPUT i and USER_PUNCH i. Again for
SELECTED_OUTPUT i, -user_punch true/false will enable/
disable the USER_PUNCH i data (rarely used).
If SELECTED_OUTPUT i has been defined, a new data block
of SELECTED_OUTPUT i will retain the previous definition
if only -active and (or) -user_punch are defined. Defining
any other identifier will cause the old definiton
to be removed and its file closed; the data for
SELECTED_OUTPUT i will be defined entirely by the new
data block.
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svn 7896
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The manual wording was wrong or confusing in some places
regarding the difference between fugacity (F) and
(partial) pressure (P) of a gas. For ideal gases, P = F.
However for Peng-Robinson gases F = P * phi / 1 atm
(unitless).
In EQUILIBRIUM_PHASES, the target saturation index for a
gas is log10(P). In SELECTED_OUTPUT -saturation_index, for
gases, the value printed will be the fugacity. For Basic
functions SI and SR, the values are based on the fugacity.
P and phi can be obtained with the Basic functions
PR_P and PR_PHI.
For the Saturation Index block of the output file,
the SI for a gas is its fugacity. However, for
Peng-Robinson gases, P and phi are appended to the
output line.
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svn 7884
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@ -7,16 +73,19 @@ Version @PHREEQC_VER@: @PHREEQC_DATE@
program. The new IPhreeqc method is
for C,
iresult = SetBasicCallback(ID, function name)
iresult = SetBasicCallback(ID, function name, cookie)
and for Fortran,
iresult = SetBasicFortranCallback(ID, function name)
The two methods are necessary because arguments
are handled differenctly between C and Fortran.
The void pointer cookie in the C callback can be
used to allow the user-defined callback function
to find necessary data.
The function for C must be of the form
double my_callback(double *, double *, char *)
The user-defined function for C must be of the form
double my_callback(double, double, const char *, void *)
For Fortran the function must be of the form
double precision my_callback(double precision,
@ -40,7 +109,10 @@ Version @PHREEQC_VER@: @PHREEQC_DATE@
endif
end
A usage of the callback feature has been added to the
IPhreeqc example advect for Fortran, C, and C++.
Additional documentation is in the .chm documentation
files for IPhreeqc.
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svn 7867
@ -61,7 +133,7 @@ Version @PHREEQC_VER@: @PHREEQC_DATE@
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Error in pressure dependence when Pitzer or SIT
aqueous models were used. The pressure dependence
aqueous model was used. The pressure dependence
was not calculated if the pressure was changed,
but the temperature was not.