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94 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
369733e9b5 converted to classes 2021-04-06 22:21:54 -06:00
David L Parkhurst
e036c2c40c Added logic to run only one step in RunCells 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8951 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-09-12 22:11:27 +00:00
Scott R Charlton
25508288fb removed set but not used variables using gcc 4.8.2[-Wunused-but-set-variable] 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8821 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-07-09 01:46:43 +00:00
David L Parkhurst
b5e86c636e Do not dump negative entities. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8502 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-02-19 16:57:35 +00:00
David L Parkhurst
5bbe7db623 changes to Tests and 
include mix in RUN_CELLS

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8419 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-02-04 00:01:04 +00:00
David L Parkhurst
7cad09da67 Only solutions, not mix in run_cells 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8409 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-01-29 20:12:37 +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
Scott R Charlton
473ea39b19 Added additional check to LoadDatabase 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8399 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-01-24 03:46:46 +00:00
Scott R Charlton
af6f13be9d changed read_delete to reuse StorageBinList for each call 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7068 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2012-11-09 03:55:10 +00:00
David L Parkhurst
5e62aeb246 Runs, getting xyz file right, checking results. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6864 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2012-08-10 23:02:55 +00:00
David L Parkhurst
07e9545fad clearloops after basic_run to avoid memory leak. PBasic.cpp. 
dump_entities checks for pr.dump.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6544 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2012-05-01 15:13:07 +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
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
18906cdd2f Removed skipped code. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@6081 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2012-01-18 17:23:36 +00:00
David L Parkhurst
d051a77711 compiles and runs solid_solution test case. 
Need to compile on Linux and run all test cases.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@6070 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2012-01-17 20:39:32 +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
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
4863913297 pp_assemblage is mostly working. Need final checking 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5996 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2012-01-09 16:38:58 +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
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
b5c652e254 Removed struct temperature. 
Uses only cxxTemperature.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5942 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2011-12-22 23:13:07 +00:00
David L Parkhurst
a8ad82586f hsave_string returns const char *. 
all other changes follow from this.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5940 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2011-12-21 23:18:58 +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
c3d019a012 Fixed action of dumper. Retains information until next read, only changes what is read. 
A DUMP keyword with no body will repeat current definitions.

Fixed DELETE, which was missing pressures.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5871 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2011-12-07 17:36:26 +00:00
Scott R Charlton
b260023bbf replaced dump_file with dump_ostream 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5867 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2011-12-06 07:30:12 +00:00
David L Parkhurst
0a98983f48 Think reaction_pressure is done. 
worked on dumper and copy.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5846 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2011-12-02 00:07:18 +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
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
e0cbcff713 CLASS_QUALIFIER is gone, svnid gone 
removed dead code from PHRQ_io.cpp


git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5714 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2011-10-20 21:57:51 +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
d57af05353 OUTPUT_MESSAGE removed, need to check a bit. 
sformatf now returns char *. Should be more efficient.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5706 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2011-10-20 13:41:03 +00:00
David L Parkhurst
92d8a3b98a OUTPUT_CHECKLINE and OUTPUT_ECHO done. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5704 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2011-10-19 22:13:03 +00:00
David L Parkhurst
fe9f31443e Replaced modify_activities so that PHREEQC instance is not needed. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5677 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2011-10-04 21:32:25 +00:00
David L Parkhurst
d0075d7c4d Converted phrq_io to pointer rather than an instance. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5667 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2011-09-30 20:05:35 +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
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