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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
0ec28bc18a 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
cbcfbb6392 Added GetDumpLine/GetDumpLineCount tests 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/branches/class@4167 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2010-03-18 04:21:59 +00:00
Scott R Charlton
f616ceefab updated for linux 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/branches/class@4166 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2010-03-18 03:54:50 +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
3384e61308 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
587b763f39 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
45fe2d142c updated LDFLAGS 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/branches/class@4161 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2010-03-12 04:52:49 +00:00
Scott R Charlton
27ebe88061 updated dependencies 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/branches/class@4160 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2010-03-12 04:46:58 +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
a4e62d3832 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
f0564e1198 format changes 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@4152 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2010-03-10 06:04:38 +00:00
Scott R Charlton
9dbdef8437 updated projects 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/branches/class@4151 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2010-03-06 04:57:48 +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
adb8c93366 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
a233c4a431 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
Scott R Charlton
7b8777bd06 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
7b7edd5637 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
Scott R Charlton
532aca62f3 git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/branches/class@4141 1feff8c3-07ed-0310-ac33-dd36852eb9cd 2010-03-02 04:40:59 +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
5a2616d604 Rearranging IPhreeqc 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@4111 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2010-02-23 05:09:09 +00:00
Scott R Charlton
71d54c4dee Rearranging IPhreeqc 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@4110 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2010-02-23 05:06:43 +00:00
Scott R Charlton
41a7d26c56 Rearranging IPhreeqc 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@4109 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2010-02-23 05:06:14 +00:00
Scott R Charlton
6546b94c28 Rearranging IPhreeqc 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@4108 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2010-02-23 05:05:42 +00:00
Scott R Charlton
44b93e6a6e Rearranging IPhreeqc 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@4107 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2010-02-23 05:05:19 +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
Scott R Charlton
a36dd188d5 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
Scott R Charlton
2ac72344de Rearranging IPhreeqc 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@4105 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2010-02-23 05:03:55 +00:00
Scott R Charlton
8e246e2564 Rearranging IPhreeqc 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@4104 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2010-02-23 05:03:20 +00:00
Scott R Charlton
0388b6f7cc Rearranging IPhreeqc 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@4103 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2010-02-23 04:59:48 +00:00
David L Parkhurst
d4c7e440ab 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
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
5e56e516a9 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
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
eff36e06f4 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
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