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Author SHA1 Message Date
Scott R Charlton
7499d8f14d removed module_files.h module_files.cpp module_output.cpp FInterface.for 
renamed IPhreeqc2 to IPhreeqc



git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/branches/class@4226 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2010-04-07 22:59:00 +00:00
Scott R Charlton
7728a79b35 renamed IPhreeqc2.h to IPhreeqc.hpp 
renamed IPhreeqc2.cpp to IPhreeqc.cpp

git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/branches/class@4225 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2010-04-07 22:13:33 +00:00
Scott R Charlton
a9e0a887fd renamed *2 routines without the 2 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/branches/class@4224 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2010-04-07 21:41:55 +00:00
Scott R Charlton
1daa55e41c renamed *M routines without the M 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/branches/class@4223 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2010-04-07 21:30:49 +00:00
Scott R Charlton
094d4c0684 Renamed IPhreeqcLib.h to IPhreeqc.h 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/branches/class@4221 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2010-04-07 20:52:16 +00:00
Scott R Charlton
2d8f7e0e51 updated for linux 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/branches/class@4219 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2010-04-07 00:51:52 +00:00
Scott R Charlton
d64227b546 renamed return values IPL_ to IPQ_ 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/branches/class@4214 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2010-04-06 21:50:37 +00:00
Scott R Charlton
7ca9917f8d Remove from unit: 
TestInterface.cpp
	TestInterface.h
		IPhreeqc.hpp
		IPhreeqc.h
		IPhreeqc.cpp
		module_output.cpp
		module_files.cpp
		fwrap.cpp
		fwrap2.cpp
		fwrap3.cpp
		IPhreeqc.cpp
		CVar.hxx
		ErrorReporter.hxx
		OutputFiles.hxx
		Phreeqc.hxx
		PhreeqcParser.hxx
		SelectedOutput.hxx
		Var.h
Remove from IPhreeqc
	IPhreeqc.cpp
	IPhreeqc.h
	IPhreeqc.hpp
	module_output.cpp
	module_files.cpp


git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@4213 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2010-04-06 20:56:38 +00:00
Scott R Charlton
0a15d767a5 Remove from unit: 
TestInterface.cpp
	TestInterface.h
		IPhreeqc.hpp
		IPhreeqc.h
		IPhreeqc.cpp
		module_output.cpp
		module_files.cpp
		fwrap.cpp
		fwrap2.cpp
		fwrap3.cpp
		IPhreeqc.cpp
		CVar.hxx
		ErrorReporter.hxx
		OutputFiles.hxx
		Phreeqc.hxx
		PhreeqcParser.hxx
		SelectedOutput.hxx
		Var.h
Remove from IPhreeqc
	IPhreeqc.cpp
	IPhreeqc.h
	IPhreeqc.hpp
	module_output.cpp
	module_files.cpp


git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/branches/class@4213 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2010-04-06 20:56:38 +00:00
Scott R Charlton
44cd787d98 Added TestRunString to cunit 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/branches/class@4211 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2010-04-05 22:38:14 +00:00
Scott R Charlton
f8d6737e83 updated for linux 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/branches/class@4210 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2010-04-03 03:57:22 +00:00
Scott R Charlton
c48a3533d7 RunF => RunAccumulatedF 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/branches/class@4202 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2010-04-02 00:43:29 +00:00
Scott R Charlton
adcd44474b passes all tests on win32; before changing to multiple instances 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@4201 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2010-04-02 00:14:16 +00:00
Scott R Charlton
803eda0a67 passes all tests on win32; before changing to multiple instances 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/branches/class@4201 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2010-04-02 00:14:16 +00:00
David L Parkhurst
8db3c1ac28 Added prototypes to class for Basic functions: 
total_mole
iso_value
iso_unit


git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@4198 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2010-03-29 22:15:30 +00:00
Scott R Charlton
4d050487e4 added prototypes for dump routines; added ostream header 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@4197 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2010-03-29 21:56:51 +00:00
Scott R Charlton
91ccdfab2f Working on Create and Destroy methods 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/branches/class@4187 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2010-03-23 22:29:50 +00:00
Scott R Charlton
09aa7f357e renamed Run to RunAccumulated; fixed RunString for fortran wrappers fwrap2 and fwrap3 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/branches/class@4186 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2010-03-23 22:25:37 +00:00
Scott R Charlton
5249f4be2a Reduced risk during low memory conditions of error message handling 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/branches/class@4185 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2010-03-23 21:20:51 +00:00
Scott R Charlton
14e1791753 git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/branches/class@4184 1feff8c3-07ed-0310-ac33-dd36852eb9cd 2010-03-23 21:05:40 +00:00
Scott R Charlton
761c7de03e Added getter methods 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/branches/class@4182 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2010-03-20 02:50:03 +00:00
Scott R Charlton
f7a93a0240 changed .c extensions to .cpp extensions for the following files: 
fwrap.c
fwrap2.c
fwrap3.c
module_files.c
module_output.c
pp_sys.c

updated unit test for GetComponent


git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/branches/class@4180 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2010-03-19 23:39:37 +00:00
David L Parkhurst
7e52b0c345 Did not pick up redox species from solution. 
Do not include H and O here.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@4175 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2010-03-19 01:00:01 +00:00
Scott R Charlton
507f5dc891 Added GETCOMPONENTCOUNT and GETCOMPONENT fortran routines 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/branches/class@4174 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2010-03-19 00:57:37 +00:00
Scott R Charlton
ffb8ee86be moved list_components from class_main.cpp to Phreeqc.cpp 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@4173 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2010-03-18 23:57:42 +00:00
Scott R Charlton
714570975e moved list_components from class_main.cpp to Phreeqc.cpp 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/branches/class@4173 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2010-03-18 23:57:42 +00:00
David L Parkhurst
4eb0dbc99b list_components method to extract complete list of elements in all solutions, equilibrium_phases, etc that are currently defined within the object. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@4171 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2010-03-18 20:48:39 +00:00
Scott R Charlton
650e24ed1b fixed empty string bugs and added tests 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/branches/class@4168 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2010-03-18 04:39:55 +00:00
Scott R Charlton
a22a6db097 need to test on linux 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@4165 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2010-03-18 03:21:45 +00:00
Scott R Charlton
da893cd778 need to test on linux 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/branches/class@4165 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2010-03-18 03:21:45 +00:00
Scott R Charlton
4a1f9aa373 cleaned up fwrap.c 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/branches/class@4162 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2010-03-12 06:15:35 +00:00
Scott R Charlton
37359f2ec7 checkin to test on linux 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/branches/class@4159 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2010-03-12 04:05:27 +00:00
Scott R Charlton
59e3083acd changes reqd to compile on linux 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/branches/class@4150 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2010-03-06 04:55:37 +00:00
Scott R Charlton
4d34613b6e added memory header file 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/branches/class@4148 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2010-03-05 23:29:40 +00:00
Scott R Charlton
ab21478cd7 updated windows.h 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/branches/class@4147 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2010-03-05 23:27:10 +00:00
David L Parkhurst
9ed87e33ad std header files added. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@4146 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2010-03-05 23:00:20 +00:00
Scott R Charlton
4b793aa95f Updated for IPhreeqc to use PHREEQC_CPP and PHREEQC_CLASS. Currently doesn't include gmp. MemDebug project still needs work. Needs to be tested on linux. 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/branches/class@4145 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2010-03-05 21:20:09 +00:00
Scott R Charlton
e245f8afa0 Updated for IPhreeqc to use PHREEQC_CPP and PHREEQC_CLASS. Currently doesn't include gmp. MemDebug project still needs work. Needs to be tested on linux. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@4145 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2010-03-05 21:20:09 +00:00
David L Parkhurst
4ddc83581c Added equilibrium_phase keyword to Phreeqc.cpp constructor 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@4116 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2010-02-23 19:32:06 +00:00
Scott R Charlton
e180be69b0 Rearranging IPhreeqc 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@4106 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2010-02-23 05:04:35 +00:00
David L Parkhurst
81717e1878 Removing zero editing. 
Adding all files from phreeqc using ../database




git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@4039 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2010-02-10 22:47:02 +00:00
David L Parkhurst
ef4a5b530e Before modification to use standard database files, 
shorten run times, and limit output.





git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@4038 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2010-02-10 21:04:30 +00:00
David L Parkhurst
5e23f440df Made pressurs a synonym of total_p in gas_phase_modify. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@4011 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2010-02-05 17:11:16 +00:00
David L Parkhurst
7b777201e2 Added viscosity function for SC at temperature. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@4007 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2010-02-04 20:03:02 +00:00
David L Parkhurst
ef46b2f30e Fixed remove_unstable_phases for class 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3988 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2010-02-01 22:59:19 +00:00
David L Parkhurst
694c07488e Bugs with kinetics in PHAST. 
The formula was not correct when converted to a phreeqcpp class, only the last instance of an element was kept and the rest were lost. Modified NameDouble to accumulate the sum of coefficients for each element when converting from a PHREEQC structure.

The order of the kinetics components was not maintained when converted to a phreeqcpp class. Components were in alphabetical order. This posed a problem with get and put statements because the gets could end up before the puts. Changed from map of components to list of components, which should maintain the order correctly.

Problems with modify solution and redox elements. Laurin pointed out that adding N may leave all the N(x) in place, which increases the total N. Revised read_solution to merge the valence states. If N defined, then all N(x) are removed. If N() defined, then N is removed. Still need to test.


git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3927 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2010-01-14 16:26:14 +00:00
David L Parkhurst
490fd2be41 Added options to the UNITS keyword to allow moles of solid 
reactants to be interpreted as moles per liter of WATER or
 	moles per liter of ROCK:
	
	UNITS
		-equilibrium_phases   ROCK
		-exchange             ROCK
		-surface              WATER
		-solid_solution       WATER
		-kinetics             WATER
		-gas_phase            WATER
		
	By default, the number of moles of solid reactants are
	interpreted as per liter of water. Using the ROCK option,
	PHAST interprets the number of moles of solid
	reactants obtained from the initial PHREEQC calculation
	as per liter of rock. 
	
	Note that an initial PHREEQC calculation is made at the
	beginning of a PHAST run. During this calculation all 
	reaction calculations interpret the concentration of solid
	reactants as simply moles. (When a solution is reacted with
	the solids, the solution contains a mass of water, which is
	usually 1 kg, but not necessarily.) It is only when initial 
	conditions are subsequently distributed in the PHAST calculation 
	that solid reactants are scaled. If the units are WATER, t
	here is no scaling and the number of moles of solids is the 
	number of moles per liter of water. If the units are ROCK, 
	the number of moles of a solid reactant	is multiplied by 
	(1-phi)/phi, where phi is the porosity in the cell receiving 
	the initial condition, to arrive at the	number of moles of 
	solid reactant per liter of water. 
	
	The addition of the ROCK option is motivated by the possibility
	of a domain with a distribution of porosities. In this case, 
	the number of moles of solid reactants per liter of water--
	the units used by PHAST--also vary spatially. By using the 
	ROCK option, a constant rock composition can be defined and 
	the factor (1-phi)/phi is used to scale the number of moles 
	of solid reactant to obtain the number of moles per liter 
	of water in each cell.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3902 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2009-12-21 20:36:36 +00:00
David L Parkhurst
d850641336 mpi.h needs to be defined first because of a conflict with stdio (SEEK_SET ifdef). 
output.h is needed for NameDouble mpi version.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3886 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2009-12-09 17:35:19 +00:00
David L Parkhurst
7dbc8d0632 PHREEQC runs as class. 
Have fixed bugs with dump_cpp.

Checking in Release results for test cases.




git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3884 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2009-12-09 16:28:52 +00:00
David L Parkhurst
b454429379 Fixed error with callback. Had not saved the phreeqc pointer in the parser constructor. 
Fixed project, directories for versions were all messed up. 

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3881 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2009-12-09 01:03:21 +00:00