48 Commits

Author SHA1 Message Date
David Parkhurst
b500c5448b changed restart file to include UZ 2018-11-30 17:41:13 -07:00
David L Parkhurst
53e3bd59e6 Moved uz_bin to workers to avoid possible data conflicts.
PartitionUZ updated
Added TransferCellsUZ
Added Add(src_bin, n) to StorageBin

Need to document partitioning.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8658 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2014-04-15 22:55:59 +00:00
David L Parkhurst
5e788df195 modifications to STORAGEBIN, added Copy.
Check for missing solution in run_cells.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8408 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2014-01-29 19:53:57 +00:00
David L Parkhurst
4733f935ed Working on REVISED_CVODE ifdef.
Runs correctly, but does not produce correct deltas.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7617 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2013-04-04 19:41:26 +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
e13a4d8039 Think rewrite of rebalance is working, need to fix zone chemistry file for mpi.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7037 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2012-10-26 21:45:30 +00:00
David L Parkhurst
0440b0c7c2 Think restart files should work, but cannot test yet.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6818 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2012-07-26 15:32:06 +00:00
David L Parkhurst
f069c8e57d renamed c files.
updated project.

moved PHAST_IPhreeqc to IPhreeqcPhast

removed const from StorageBin getters.

Fixed some compile errors.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6776 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2012-07-12 22:10:02 +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
568a2ab70a classified struct use
finished rename of s_s_assemblage and SSassemblageSS

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@6032 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2012-01-11 16:15:48 +00:00
David L Parkhurst
4a7158c44b Getting there with adding REACTION_PRESSURE capabilities.
Still need to look at copy, dump, and maybe others.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5844 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-12-01 22:08:35 +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
79541da631 Removing struct system. Not used.
Missing KT_MIX_RAW in Parser.

Storage bin, renamed removeXxx to Remove_Xxx.


Added missing mix, reaction, temperature to dump_raw.

Added missing mix read_raw to storagebin read_raw. 

Removed storagebin add(struct system), not used.

Added missing mix, reaction, temperature in storagebin remove.

Added storagebin Clear to remove all data. Hopefully does not leak memory. 

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5692 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-10-15 20:31:00 +00:00
David L Parkhurst
ee9dcce40b writing cxxStorageBin2phreeqc.
clean up some consts.

Adding methods for Mix, Reaction, Temperature.

Need parallel method for exchange_ptr_to_user for mix, irrev, temperature.


git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5689 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-10-15 00:40:56 +00:00
David L Parkhurst
7ccdb1613b removed dead code, mostly P_INSTANCE and PHREEQC_PTR
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5681 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-10-05 19:32:29 +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
9fe532eaaf Cleaned up Get_ and Set_ except for parser.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5661 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-09-29 18:51:39 +00:00
David L Parkhurst
bf84746d3e Converted last StorageBin to remove P_INSTANCE.
Not sure about the cxx to system. Commented for now.


git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5660 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-09-29 17:44:10 +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
6acf05a1a0 Removed ORCHESTRA
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5658 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-09-28 22:30:46 +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
aba479648c Added file_on variables to PHRQ_io.
Set dump, log, and punch file_on variables whereever
pr.dump, pr.log, and pr.punch were set in PHREEQC.

Added base class to Solution, ISolution, and StorageBin. Required a PHRQ_io in the constructor to find all places they were constructed.

Need to do the same to all other classes (Exchange, Surface, NameDouble, etc.)

Then need to take PHREEQC instance out of parser and fix all places a parser is constructed.

Need to move phreeqc2class constructors to phreeqc.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5628 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-09-09 22:05:32 +00:00
David L Parkhurst
cd87eed340 Added some LDBLE, particularly for pow().
Added some methods, mostly getter methods.

Was calculating maximup precipitation for mineral based on limiting element in step.c. Not sure if I will used this or not. Not checking in at this time. 

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@5322 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-04-14 21:22:09 +00:00
David L Parkhurst
16c2689a8a Fixed adjustments of activities after solution_modify. Better treatment of redox states; bug in get_total_element.
Rewrote error.inp printout.

Rewrote cxxStorageBin constructor from use structure. 

Added reaction, temperature, and mix to StorageBin dump_raw.


git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@5281 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-03-31 17:15:59 +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
e65ab2ea73 cleaned up storagebin headers.
cleaned up ssassemblage.h headers.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3867 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2009-12-04 23:30:03 +00:00
David L Parkhurst
0a91aa5bec phreeqcpp (nonclass) compiles.
SSassemblage.cxx compiles, but need to work on header files.

Need to fix header files throughout.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3865 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2009-12-04 22:47:55 +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
8d475282bf Added read_raw_keyword.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@2271 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2007-09-20 19:09:38 +00:00
David L Parkhurst
37b1add946 Ifdef'd ORCHESTRA.
Added lines at end of files.

Ran test cases, a few had changes from format and Tony.





git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@2182 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2007-08-16 19:49:38 +00:00
David L Parkhurst
7ab1e21ce7 Works with reaction calculation of pure phase equilibrium.
Worked out relation between phreeqc components H,O,charge and Orchestra H+, e-, H2O.

It's a lot of code and still have not implemented SURFACE, EXCHANGE, GAS_PHASE,

much les KINETICS.

Convergence problem when including pyrite.

Also have REACTION (REQCTION_TEMP?);

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@2181 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2007-08-16 18:51:35 +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
2b442eef30 git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@1723 1feff8c3-07ed-0310-ac33-dd36852eb9cd 2007-01-30 01:34:18 +00:00
David L Parkhurst
93a7759e1b Beginning to revise cpp classes.
Have worked on mixing solutions.

Roughed in mixing Exchange.h



git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@1722 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2007-01-30 01:05:44 +00:00
David L Parkhurst
6df20749e2 Added mix_cxxExchange to storage bin with assorted routines and
changes to make it work.



git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@921 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2006-05-12 19:26:37 +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
David L Parkhurst
11431ae291 packing and unpacking cxx classes for mpi is running
need to check result.

changed SurfComp.h SurfaceComp.h
changed SurfComp.cxx SurfaceComp.cxx

changed SurfCharge.h SurfaceCharge.h
changed SurfCharge.cxx SurfaceCharge.cxx

Added Dictionary.cxx and Dictionary.h




git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@894 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2006-05-04 00:02:01 +00:00
Scott R Charlton
297744eafa Updated for VS7.Net
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@891 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2006-05-03 06:37:52 +00:00
David L Parkhurst
a38caf4970 Serial version is working for Linux with restart option.
Tried including printing just active cells, but went back to writing
entire storage bin in case wanted a new head condition with free
surface.

Waiting for Scott on Windows version.



git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@887 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2006-05-01 16:31:27 +00:00
David L Parkhurst
cb5ccd55d1 Works with szBin on serial and parallel.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@876 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2006-04-21 20:00:26 +00:00
David L Parkhurst
8c747cbbf2 Almost working on unsaturated zone serial version.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@867 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2006-04-17 23:42:03 +00:00
David L Parkhurst
c41fb4e5ec phastpp works on linear_ic in debug mode.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@862 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2006-04-13 21:16:33 +00:00
David L Parkhurst
574da9a1ac Working on phast driver to use classes for main storage
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@859 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2006-04-12 21:44:32 +00:00
David L Parkhurst
3261c99891 Added class SolutionIsotopeList
Working through using C++ structures in transport




git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@855 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2006-04-11 23:41:57 +00:00
David L Parkhurst
957551d0a7 Updates
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@837 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2006-03-08 14:54:34 +00:00
David L Parkhurst
bc11981448 Adding StorageBin
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@798 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2006-02-27 21:24:28 +00:00