49 Commits

Author SHA1 Message Date
David L Parkhurst
77aa5ae5a9 latest test cases, minor changes except for .pat file, which were wrong
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@9030 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2014-11-03 17:38:37 +00:00
David L Parkhurst
ab5384de2a Tony's vm revisions, phreeqc.dat gfw for N redox states
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8204 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2013-11-18 20:58:12 +00:00
Scott R Charlton
2628e3aa04 added NOTICE to configure
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7404 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2013-01-30 04:52:41 +00:00
Scott R Charlton
7ef536ffbe working on linux dist
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/reorg@7315 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2013-01-11 02:22:26 +00:00
Scott R Charlton
662894ffb3 renamed GNUmakefile to Makefile
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/reorg@7313 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2013-01-11 01:29:17 +00:00
Scott R Charlton
9976920fbf updated dependencies
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/reorg@7311 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2013-01-11 01:23:36 +00:00
David L Parkhurst
e765dc4309 Updated makefiles for parallel testing.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7236 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2012-12-19 17:21:15 +00:00
Scott R Charlton
fbe3108bb0 removed Phreeqc_class.h from dependencies
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6521 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2012-04-20 05:01:32 +00:00
Scott R Charlton
495a220070 merged in http://internalbrr.cr.usgs.gov/svn_GW/phreeqcpp/branches/ErrorHandling 6269-6445
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6446 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2012-04-11 02:21:16 +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
82bd21f484 Running Linux with new SS
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@6075 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2012-01-18 01:18:34 +00:00
David L Parkhurst
765f7b8d13 Linux Makefile
cxxUse constructor errors


git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@6034 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2012-01-11 16:46:37 +00:00
David L Parkhurst
15dbbaa342 New Makefile.
Parser.h in header file.



git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5968 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2012-01-04 17:01:12 +00:00
David L Parkhurst
28534b50e0 removed REVISED_GASES from Makefile.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5925 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-12-20 22:51:58 +00:00
David L Parkhurst
8a8547be79 Think fixed volume P-R gases are working correctly with
numerical derivatives.

There is a problem with CO2_conc_PR_EQ related to gas.dat.

Am going to remove -reset false from some of the gas
problems so that testing is better.




git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5902 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-12-16 01:04:53 +00:00
David L Parkhurst
6bca210514 Linux version of all examples for version 3.
Linux version of mytest with new gas.dat from Tony.

Updated Makefile for compiling on Linux.


git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5861 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-12-05 20:07:54 +00:00
David L Parkhurst
c20d3ca270 Latest version (5757) with fixed up PBasic (std::map).
Checking in examples and mytest.



git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5758 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-11-09 20:39:29 +00:00
David L Parkhurst
579d5a3f05 Fixed up PBasic for Linux.
Checked in test cases; PBasic gives same result as non-PBasic.



git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5750 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-11-08 23:53:07 +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
fdd1cee2a2 Phreeqc_class.h case in #include statements.
Fixed warnings and errors in Unix.
Updated Makefile for class only versions.



git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/branches/ErrorHandling@5728 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-11-02 18:44:50 +00:00
David L Parkhurst
c9b1781f37 new sit.dat database.
unix versions.

Makefile is not really right for all configurations. 
Need to build from scratch to make sure.

Moved new Basic functions to phreeqcpp; don't work in 
phreeqc (non PHREEQC_CPP).



git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@5482 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-07-13 19:11:43 +00:00
David L Parkhurst
8ad0987b85 Added ndiff option
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@5144 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-02-18 01:17:54 +00:00
David L Parkhurst
e2c2949e1d latest phreeqcpp
modified calc_SC to 273.15

Makefile does not merge for nonclass versions


git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@4992 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2010-12-22 16:55:54 +00:00
David L Parkhurst
3e8e792778 Some spec cond diffs.
Some Linux/Dos diffs.




git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@4911 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2010-10-26 22:48:33 +00:00
David L Parkhurst
20cf5c40c2 Fixed uninitialized variable in V_M structure in transport.c,
which caused sc7 to fail under Class_release configuration (NDEBUG).

Fixed mytest/Makefile to use Class_release version.

sit_redox now redefines some SIT parameters.

Vendome.pat has O2(aq) concentration fix for Netpath.

src/Makefile now uses -DNDEBUG




git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@4693 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2010-08-03 23:20:42 +00:00
David L Parkhurst
81717e1878 Removing zero editing.
Adding all files from phreeqc using ../database




git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@4039 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2010-02-10 22:47:02 +00:00
David L Parkhurst
ef4a5b530e Before modification to use standard database files,
shorten run times, and limit output.





git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@4038 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2010-02-10 21:04:30 +00:00
David L Parkhurst
7dbc8d0632 PHREEQC runs as class.
Have fixed bugs with dump_cpp.

Checking in Release results for test cases.




git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3884 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2009-12-09 16:28:52 +00:00
David L Parkhurst
65ff0a9456 Fixed Makefile on Linux to make class version.
Added eol and other changes for linux.

Had statics in ReadClass.cxx, removed.

Problems with .dmp files. May be because of statics.




git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3879 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2009-12-08 23:58:06 +00:00
David L Parkhurst
c73fc4b2e9 Modifications for Linux.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3736 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2009-11-02 15:34:29 +00:00
David L Parkhurst
b9e38f4da8 Updated phreeqcpp to have examples from phreeqc.
equilibrium_phases_read_raw has duplicate lines.




git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3724 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2009-10-27 20:29:04 +00:00
David L Parkhurst
d106dbea5c Added missing tests from phreeqc/mytest and related files:
netpathxl
      eq_EC
      salt_ec

Fixed Makefile to include gmp library and fix typo on INVERSE_CL1MP definition.



git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@2713 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2008-02-19 23:28:29 +00:00
David L Parkhurst
25666df97c Used new gcc on srv2rcolkr.
Cleaned up all the const errors when using constant string in 
arguments to functions.

removed ex1.

Modified makefile to include/exclude cl1mp.



git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@2712 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2008-02-19 22:05:11 +00:00
Scott R Charlton
f630dd8377 added linker option to check for --hash-style availability
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@2531 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2008-01-15 01:20:44 +00:00
David L Parkhurst
711f5f948e Fixed syntax for bash
cat file > xxx 2>&1;

Weird.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@2414 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2007-11-20 21:34:23 +00:00
David L Parkhurst
75255ea2f2 No memory leak check in output files.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@2205 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2007-08-30 16:36:35 +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
4a5bbef324 New compiler, lots of diffs in test cases.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@2042 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2007-05-09 21:26:19 +00:00
David L Parkhurst
52ab13ec09 Fixed some bugs in C++ classes.
Ran test cases with test_classes enabled. Everything appeared to check
correctly. 

Added new test cases to phreeqcpp/mytest.

Added zero.sed to examples and mytest.





git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@1376 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2006-10-24 22:11:23 +00:00
David L Parkhurst
89c12ec0e6 using type and dl_type in Surface
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@1315 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2006-10-16 16:03:36 +00:00
David L Parkhurst
a524c46106 Updated to latest PHAST cpp files.
Ran test cases.



git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@954 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2006-05-24 13:50:19 +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
2fe8f7d44e Working on saving state.
I think there is a compiler bug with map iterators in template definitions.



git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@796 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2006-02-27 21:17:46 +00:00
David L Parkhurst
c42d985558 Moved Isotope to SolutionIsotope
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@793 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2006-02-16 20:09:24 +00:00
David L Parkhurst
39494b0287 Renamed SolutionComp to ISolutionComp because it is not
used in cxxSolution.

Fixed Makefile to new names



git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@792 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2006-02-16 19:52:52 +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
3da5643ae7 Makefile is working.
Will make pc version and then can move on.



git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@789 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2006-02-16 17:35:35 +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