29 Commits

Author SHA1 Message Date
David L Parkhurst
af2dbfdce2 Added changes for serializing.
Copied files from concrete_parallel, without merging or svn_copy.
Added Dictionary.cpp and Serializer.cxx + header files.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@10607 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2015-12-28 23:35:36 +00:00
David L Parkhurst
9d4bb2e173 PHREEQC should now have no USE_MPI
Also no MERGE_FILES in PHREEQC

Not sure about deallocates in worker_closef

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7045 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2012-10-29 23:16:27 +00:00
David L Parkhurst
d4721e493e Wrote rebalance_load for MPI_Bcast
However, now need 4 configurations for IPhreeqc Debug/Release USE_MPI.



git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7036 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2012-10-26 00:39:14 +00:00
David L Parkhurst
b0b007ca92 const static vopts
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6793 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2012-07-17 17:12:50 +00:00
Scott R Charlton
54d517d477 added const versions
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6319 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2012-03-30 02:54:35 +00:00
David L Parkhurst
91f650a5e9 Merged ErrorHandling 6119-6268 changes.
All reactant structs have been removed.
Tony's pressure uses mu in pressure term of log_k.
Test cases run, discriminant check at 1e-8.

Still want to optimize out some k_temp calls and checks for same T, P, mu.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6269 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2012-03-06 23:42:49 +00:00
David L Parkhurst
dd06c2eaf2 Runs most kinetics, kinsurf is a problem.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@6084 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2012-01-20 00:56:16 +00:00
David L Parkhurst
7683982877 changed all double to LDBLE
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@6038 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2012-01-11 21:13:51 +00:00
David L Parkhurst
be8d41f2a9 removed MERGE_INCLUDE_FILES
some static and extern
unused static maps

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5717 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-10-20 23:50:11 +00:00
David L Parkhurst
6e4445faf5 Working on reaction module and RM_interface.
Changed most declarations to protected: from private:

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5688 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-10-14 15:44:52 +00:00
David L Parkhurst
58c0e3f7c8 Added optional argument to dump_raw to a different user number.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5680 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-10-05 17:20:16 +00:00
David L Parkhurst
b18bda26b4 Working on StorageBin. Moved 3 routines to structures to eliminate P_INSTANCEs.
Runs mytest OK.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5659 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-09-29 17:03:44 +00:00
David L Parkhurst
2dab6f8ed8 Removed PHREEQC_PTR_ARG from gas phase and temperature.
Removed commented PHREEQC_PTR from some of the header files.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5651 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-09-27 17:15:14 +00:00
David L Parkhurst
7c9913195a Worked through kinetics to remove PHREEQC_PTR.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5649 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-09-26 22:56:22 +00:00
David L Parkhurst
b7729cf254 Changed all check of input_error to get_input_errors for phreeqc.
Started removing PHREEQC_PTR and P_INSTANCE. Redid all read_raw.

Breaks some echoing or printing of output. Need to check why.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5646 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-09-23 22:33:19 +00:00
David L Parkhurst
7eeeab4569 all classes inherit from PHRQ_base, except
NameDouble, StorageBinListItem.

NumKeyword inherits from PHRQ_base, others inherit NumKeyword.

ChartHandler and ChartObject inherit from PHRQ_base.

CurveObject does not inherit from PHRQ_base.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5637 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-09-20 20:05:43 +00:00
David L Parkhurst
f6ed50af7e Added base to kinetics, mix, and exchange.
Going in alphabetical order in src.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5629 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-09-09 22:32:09 +00:00
David L Parkhurst
61580e1510 added equal_steps to cxxKinetics. Had not implemented the "in steps" option for the Kinetics class.
Skipped checking in kinetics components when using kinetics_modify.

Thru kinetics_raw.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@4836 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2010-09-23 21:31:35 +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
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
9f4eefd214 Made all the changes to add phreeqc pointer as argument to
Phreeqcpp class methods.

Still compiles on Debug and Release, but problem with
phrq_malloc in cvdense and cvode.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3876 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2009-12-08 18:09:39 +00:00
David L Parkhurst
2b76f04a8b Cleaned up header files to remove unnecessary includes of .h files. Moved includes to source code where possible.
Moved some methods for .h to source files to avoid need for includes.

Debug and Release compile. 

Still need to get class version working. 

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3868 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2009-12-07 19:49:38 +00:00
David L Parkhurst
d54c04039a Have converted std::list to std::map for all entities.
surface is completed but needs testing.

SS and kinetics need to have reread of components implemented for MODIFY option.

gas_phase may be done, needs to be tested.



git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3726 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2009-10-28 19:15:17 +00:00
David L Parkhurst
6ca3a6d3b2 Added the suite of modify keywords:
SOLUTION_MODIFY
	EQUILIBRIUM_PHASES_MODIFY
	EXCHANGE_MODIFY
	SURFACE_MODIFY
	SOLID_SOLUTIONS_MODIFY
	GAS_PHASE_MODIFY
	KINETICS_MODIFY

May now revisit dump to add a delete capability.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3714 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2009-10-21 19:40:43 +00:00
David L Parkhurst
d37ed2c6ae indented header files.
removed ^M from System.h





git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3169 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2008-10-31 15:32:53 +00:00
David L Parkhurst
3f9693c68c Updated C++ to have new variables for KINETICS
cvode_steps, cvode_order.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@2684 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2008-02-05 21:41:45 +00:00
David L Parkhurst
7830f46d8d Merged 1727 through 2055 from orchestra/phreeqcpp_for_orch into phreeeqcpp trunk
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@2057 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2007-05-30 23:43:59 +00:00
David L Parkhurst
546c3e8e95 Had extra :: qualifiers, not needed in header file.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@1864 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2007-03-16 18:12:22 +00:00
David L Parkhurst
d8a1b2d7fa Renaming some files
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@907 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2006-05-09 17:12:45 +00:00