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Author SHA1 Message Date
David L Parkhurst
e9fe756bbe updated Makefile? fixed compiler warnings in transport.cpp 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@12396 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2017-02-10 00:07:28 +00:00
David L Parkhurst
cf4a14f00e no gmp 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@12395 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2017-02-09 23:40:49 +00:00
David L Parkhurst
025d2a1ee1 Merged in Tony's changes for electro diffusion. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@12388 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2017-02-09 17:17:10 +00:00
David L Parkhurst
9bf1411f42 Updated to PHREEQC3 12386 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@12387 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2017-02-09 16:41:47 +00:00
David L Parkhurst
d1cf5f96d6 Running tester on Windows. 
It's been a while since the test cases have been checked in.
With lobo gone, will do primary checks on Windows.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@12376 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2017-02-08 20:26:12 +00:00
Scott R Charlton
afd4e5e623 replaced auto_ptr with unique_ptr for IPhreeqc 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@12343 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2017-02-07 21:42:50 +00:00
Scott R Charlton
8d624a7f00 fixed compilation for linux c++11 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@12301 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2017-02-01 02:25:18 +00:00
Scott R Charlton
424c070370 fixed compilation for linux c++11 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@12300 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2017-02-01 02:22:14 +00:00
Scott R Charlton
80f143a6c6 changed macros for unique_ptr 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@12294 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2017-02-01 00:37:57 +00:00
David L Parkhurst
b06b4f2c33 replace auto_ptr with unique_ptr 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@12293 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2017-01-31 22:46:43 +00:00
David L Parkhurst
9a6ec5b140 Error in sys("equi",...). 
Returned the values from the phases structure rather than from the unknown structure. So, the value from the beginning of the simulation was given rather than the reacted amount.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@12204 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2017-01-10 16:55:38 +00:00
David L Parkhurst
52ea727147 Had a problem with mismatch between mass_water (1e-6) and 
total_o (~55.5) from Colman phast run.
Now set mass_water based on total_o.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@11937 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-11-09 21:31:17 +00:00
David L Parkhurst
53fade44b5 Bug when related to surface related to kinetics and proportion was zero. 
Think there was a bug anyway trying to identify the right surface total.
Hopefully fixed.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@11915 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-11-07 22:39:48 +00:00
David L Parkhurst
baf36d4af5 fix memcpy overwrite 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@11412 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-06-30 21:21:08 +00:00
Scott R Charlton
8502196319 removing shrink for pitzer 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@11401 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-06-30 19:33:02 +00:00
David L Parkhurst
c6e273379e shrink_array for pitzer in model.cpp 
Mapped changes from sit to PITZER
   pitzer_revise_guesses
   model_pz
      change bases.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@11400 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-06-30 18:06:16 +00:00
Scott R Charlton
32b2b16686 removed dw.cpp 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@11299 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-06-17 02:55:53 +00:00
Scott R Charlton
51974df3ca removed dw.cpp 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@11298 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-06-17 01:44:30 +00:00
Scott R Charlton
6837c17da3 removed dw.cpp 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@11294 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-06-17 00:40:45 +00:00
David L Parkhurst
22fa4499a0 Moved mpi.h to beginning of each file. Conflict with stdio? 
Fixed TestRM.vcxproj to have zlib defined correctly.

Removed dw.cpp from phreeqc. Need to fix all solutions and cmake files.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@11284 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-06-16 21:25:19 +00:00
David L Parkhurst
9cf105c93e Kinniburgh problem with P(O2) = 10^-51 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@11255 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-06-13 16:34:00 +00:00
David L Parkhurst
e8aa08af26 Tony's latest. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@11223 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-06-07 14:43:36 +00:00
David L Parkhurst
f65078e910 added function phase_vm and test case. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@11201 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-06-03 18:46:13 +00:00
David L Parkhurst
06e41e92ae Tony's changes for advection/diffusion with irregular grid. 
He was not able to get a robust result.

Have not run test casees with this change.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@11171 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-05-17 15:33:46 +00:00
David L Parkhurst
edf7f8f6f6 Added Basic functions for KINETICS_FORMULA$ and SYS("kin" 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@11151 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-05-04 17:01:33 +00:00
David L Parkhurst
9683907272 Needed to write around signbit. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@11135 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-05-03 17:05:03 +00:00
David L Parkhurst
03c9d56c09 Tony's updates to allow fixed current. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@11133 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-05-03 16:27:32 +00:00
Scott R Charlton
937632d8d2 removed invalid assert 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@11128 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-04-29 01:00:07 +00:00
David L Parkhurst
fe3f36ea24 Need to zero moles in tally struct in addition to zeroing totals. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@11105 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-04-26 16:07:41 +00:00
Scott R Charlton
ad55ede313 fixed selected_output missing headers when SelectedOutputFileOn == true 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@11104 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-04-23 01:53:00 +00:00
David L Parkhurst
c02d598b4b wrong format in read 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@11090 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-04-21 15:19:03 +00:00
Scott R Charlton
394f918eac changed preprocessor guard for windows _set_output_format call 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@11088 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-04-20 22:05:13 +00:00
Scott R Charlton
e37e06ad60 fixed selected output missing headers given the following input: 
solution
    selected_output
    end


git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@11073 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-04-20 04:40:45 +00:00
Scott R Charlton
e9837bb0d8 fixed bug that overwrote selected output files when (re-)opening a .pqi file 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@11072 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-04-20 03:21:26 +00:00
David L Parkhurst
d918a52dd0 switch back to 1e-25 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@11043 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-04-12 18:32:14 +00:00
David L Parkhurst
79a4965661 Change MIN_TOTAL to 1e-18 
MIN_TOTAL added to KNOBS.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@11041 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-04-12 17:48:22 +00:00
David L Parkhurst
8604336e09 Update from phreeqc3 through 10983. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@10984 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-03-26 20:35:41 +00:00
David L Parkhurst
d2dba8c291 Tony's latest changes. 
New test case SC_Ohm, added to Makefile.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@10983 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-03-26 20:11:29 +00:00
David L Parkhurst
48b4d8706a Added asserts to inverse.cpp (had -1 for a row number). 
Ensure that master species for an element contains the element.
Fixed memory leaks if problems detected in read_master_species.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@10932 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-03-10 16:17:45 +00:00
David L Parkhurst
d5e7aa0ab3 Tony's changes. 
Call calc_delta_v always.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@10930 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-03-09 19:59:35 +00:00
David L Parkhurst
810f51a257 two changes for vm_tc, always calc_delta_v 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@10929 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-03-09 17:35:12 +00:00
David L Parkhurst
4405e60e4e Merged source up to phreeqc3-trunk SVN 10892 
copied files from trunk and merged changes manually.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@10893 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-03-04 18:13:43 +00:00
David L Parkhurst
626d678296 Added setdiff_c method. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@10891 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-03-04 16:38:33 +00:00
David L Parkhurst
8bc5862769 Switch back for now. Tony will fix later. 
if (s_ptr->logk[vm_tc])

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@10883 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-03-03 18:44:50 +00:00
David L Parkhurst
ed231a9109 calc_logk_s, removed 
if (s_ptr->logk[vm_tc]) at line 489.

Added rho_0.

k_temp, line 5720
		//if (s_x[i]->rxn_x->logk[vm_tc])

Added mol/kgw for units of ionic strength.


git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@10881 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-03-03 17:56:35 +00:00
David L Parkhurst
78c5daa0a9 Negative mass of water bug. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@10834 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-02-16 19:34:12 +00:00
David L Parkhurst
2a9ab26516 For concrete, this is correct. For phreeqc-trunk without the new transport changes, previous is needed. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@10807 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-02-04 16:51:39 +00:00
David L Parkhurst
8152581920 Needed for old test cases. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@10805 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-02-03 22:05:56 +00:00
David L Parkhurst
bde722c21e Another try on porosities. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@10804 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-02-03 21:42:14 +00:00
David L Parkhurst
7c77eda952 Forgot to remove testing code for differences in porosity between old and new version. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@10803 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-02-03 17:54:58 +00:00