89 Commits

Author SHA1 Message Date
David Parkhurst
a99253764f (void)sscanf, removed SKIP, removed PHREEQ98 2021-03-12 18:11:29 -07:00
David Parkhurst
6a49d41253 changes to make related and mixing items independent of case. surface_mix test case. 2019-10-28 18:21:57 -06:00
David Parkhurst
ae6e8b0544 added modify methods for restart files 2018-12-11 17:17:49 -07:00
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
b6f962428e guarded gzstream in FileHandler.cpp
rewrote WriteRestart to use DumpModule
Don't call DumpModule from manager/worker, now only in WriteFils
fixed DumpModule to work for serial and parallel. Uses dump_file_name with no adjustments to extensions.
added LastInitialPhreeqc2Module(vector<int> cell_numbers).
Changed args in RunFile and RunString in PhreeqcRM to bools, affected
   RM_interface.cpp, RM_interface_C.cpp, Tests/advection_cpp.cpp
In Copy for cxxStorageBin, check if destination == source.



git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8411 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2014-01-30 01:36:11 +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
a191ef4b42 Still working on selected output.
Moved DumpModule

Fixed logic in InitialPhreeqc2Concentrations
Fixed logic in cxxStorageBin::read_raw

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8283 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2013-12-05 22:22:58 +00:00
David L Parkhurst
70482839c5 Added GetMpiTasks
Restart may be working. Need to clean up RMHelper and WriteFiles.

Need to add dump facility.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8278 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2013-12-03 23:49:22 +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
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
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
3d2e4ae4be Removed Phreeqc_class.h.
Replaced all PHREEQC_PTR, P_INSTANCE, p_instance1.

Now uses Phreeqc * phreeqc_ptr for Phreeqc cookies.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6509 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2012-04-19 18:35:14 +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
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
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
4f0fb6c928 Finished ss_assemblage rename.
Added Use class

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@6020 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2012-01-10 20:11:15 +00:00
David L Parkhurst
cbd736da15 Renaming SSassemblageSS to SS and cxxSS
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@6019 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2012-01-10 19:14:07 +00:00
David L Parkhurst
f085546091 Renaming SSassemblageSS
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@6018 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2012-01-10 19:10:05 +00:00
David L Parkhurst
acf62c7881 gas_phase and irrev removed.
get_line moved to PHRQ_io.

Still debugging some.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5967 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2012-01-04 16:07:40 +00:00
David L Parkhurst
02839d601d Removed struct mix.
Left old code commented.

Will remove old code next svn revision.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5948 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-12-27 18:41:46 +00:00
David L Parkhurst
e0ef4941f8 changed error_string to const char *.
works with sformatf to allow indefinite length strings.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5936 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-12-21 18:07:01 +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
99b8eac54d Have read_reaction_pressure and read_reaction_pressure_raw working.
Dump reaction_pressure raw also works.

Started using templates in Utils.h for map manipulations.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5842 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-12-01 20:03:56 +00:00
David L Parkhurst
17a4c8442d Moved keywords to separate class
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5835 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-11-30 18:30:51 +00:00
David L Parkhurst
95aa3278de Removed phrqproto.h from project and svn deleted.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5718 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-10-20 23:53:44 +00:00
David L Parkhurst
7e26eec197 Last checkin svn deleted obsolete files output.h, output.cpp, phreeqc_files, main.cpp.
removed all PHREEQC_CLASS ifdefs

Need to remove old_io ifdefs

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5712 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-10-20 21:14:33 +00:00
David L Parkhurst
05495494ec Removed output.h throughout.
Will svn delete output.h, output.cpp, phreeqc_files.cpp, main.cpp.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5710 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-10-20 19:26:08 +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
4d728afcbe Removed MOVE_TO_STRUCTURES ifdefs.
Removed most SKIP ifdefs

ran test cases OK.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5657 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-09-28 20:25:20 +00:00
David L Parkhurst
9efcd6ecb8 Finished all but loose ends with P_INSTANCEs.
Did Surface, charge and comp.

Now can clean up some more.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5656 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-09-28 17:05:01 +00:00
David L Parkhurst
9561576af7 Finished SSassemblage.cxx
Cleaned up other files some.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5655 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-09-27 23:36:52 +00:00
David L Parkhurst
62a55134be Worked through solution removing PHREEQC_PTR_ARG.
More cleaning up to do.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5653 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-09-27 21:18:38 +00:00
David L Parkhurst
02ab5c208c Finished PPassemblage and Reaction P_INSTANCE removal.
Removed some commented PHREEQC_PTR_ARG from headers.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5652 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-09-27 19:59:49 +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
06f4e08ecf Finished with Exchange removing all P_INSTANCE I think.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5650 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-09-27 15:54:10 +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
12d62e8e54 Removed P_INSTANCE for error_msg, which removed entirely from
some methods.

Began moving xx2struct into phreeqc from class definitions.

First moved was cxxMix2mix to structures.c.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5648 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-09-26 20:24:17 +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