43 Commits

Author SHA1 Message Date
Scott R Charlton
63175ab743 [phreeqci] fixed header error with phast 2021-04-23 14:06:58 -06:00
Scott R Charlton
d0c821238d [phreeqci] added 'new' debugging 2021-04-19 17:17:02 -06:00
David Parkhurst
a99253764f (void)sscanf, removed SKIP, removed PHREEQ98 2021-03-12 18:11:29 -07:00
David Parkhurst
569e1e1377 Exchange related. Needed to update in case the related entity changed. 2020-08-10 14:34:06 -06:00
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 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
06cc39e84d Added new keywords to mix SOLUTION, EXCHANGE, GAS_PHASE, KINETICS, EQUILIBRIUM_PHASES, SOLID_SOLUTIONS, SURFACE
Replaced can not with cannot.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6811 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2012-07-24 16:51:26 +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
David L Parkhurst
0ca9654356 Reversed logic to NO_STATIC_VOPTS, default is now static vopts. No changes to Makefile or project needed now.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6771 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2012-07-11 16:39:13 +00:00
David L Parkhurst
8823f0ff2f Added STATIC_VOPTS to make vopts static, not static unless defined.
Guy had problems with static variables with OpenMP.

Also removed other static variables fpunchf_user s_warning and buffer, spread length, utilities spinner. Put in Phreeqc.h.

Removed static fnbuf from Pbasic.cpp, put in Pbasic.h.

I think only static variables are in Keywords.h and are necessary for initialization.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6770 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2012-07-11 16:23:02 +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
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
9758c574e4 Last of SKIPs
In parser, do not echo if using last line.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5982 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2012-01-05 19:39:34 +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
b52ab4dfea Exchange changes have been made, but need to debug.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5960 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-12-29 15:39:50 +00:00
David L Parkhurst
27168dbe3e Has PR calculations.
PBasic not used here. Will compare to this.




git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5748 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-11-08 20:11:46 +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
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
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
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
David L Parkhurst
3131740cfb Compiles as class, debug, and Release.
Requires recompilation of the entire solution for some reason.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3878 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2009-12-08 22:12:42 +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
Scott R Charlton
07d5fa7413 merged 3750-3846 of plusify; system.cxx and system.h need to be formated
removed char * and used std::string's and std::map's

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3847 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2009-12-03 01:49:56 +00:00
David L Parkhurst
f015759286 exchange_modify is working.
changed list of comps to map of comps.

made sure that description changes were captured for solution, equilibrium_phases, and exchange.

surface is next.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3725 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2009-10-27 22:57:49 +00:00
David L Parkhurst
cefe071f17 Reindented, fixed errors, ran test cases.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3176 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2008-10-31 19:09:45 +00:00
David L Parkhurst
3313c814a9 Ran indent program on phreeqcpp
indent -bli0 -i4 -ts4 -npcs -nbc *.cxx




git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3168 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2008-10-31 15:19:39 +00:00
David L Parkhurst
b9520a207f Worked on dependencies for Makefile.
Made dependencies the same for serial and parallel,
can check with make depends and make depends_parallel, 
dependencies and dependencies_parallel should be the same.

Modified fortran with -I/usr/include for gfortran compiler
to find mpif.h.

Now use mpif.h in mpimod.F90 to define MPI_COMM_WORLD.

Dictionary.h moved in cxx files to make serial and parallel
dependencies the same.

Ifdef'd mpimod to exclude everything in module for serial version. 



git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@2707 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2008-02-14 17:56:32 +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
119b032594 Had not included formula_totals and formula_z in structure.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@1316 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2006-10-16 18:46:30 +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
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
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
75b28d81ca Moved Conc to SolutionComp
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@791 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2006-02-16 18:34:28 +00:00
David L Parkhurst
60a1544019 Copying new classes (cxx) and cpp files to src
Will remove cpp and header files and make phreeqc an external directory.




git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@785 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2006-02-16 00:21:39 +00:00