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Author SHA1 Message Date
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
David L Parkhurst
320aef185a Merged Tony's 2/3/16 changes for setting porosities. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@10800 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-02-03 16:37:58 +00:00
David L Parkhurst
998f194b9b To read multiple lines of porosities. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@10799 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-02-03 16:27:19 +00:00
David L Parkhurst
2c3cd3e3bc To read multiple lines of porosities. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@10798 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-02-03 16:25:36 +00:00
David L Parkhurst
383227282a Tony's fixes 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@10771 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-02-01 15:50:11 +00:00
David L Parkhurst
0bd85c1604 reverting to old porosity definition. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@10764 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-01-29 17:51:02 +00:00
David L Parkhurst
279acc25a1 Merging Tony's changes for reading porosity. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@10762 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-01-29 17:06:45 +00:00
David L Parkhurst
72991f1acc First fix of day. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@10758 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-01-28 21:24:32 +00:00
David L Parkhurst
b8ee7f645c Another temporary fix. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@10756 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-01-27 23:57:15 +00:00
David L Parkhurst
4cd0224ee5 Temporary fix for Jenkins. 
Need Tony's fix for porosity of stagnant zone if porosity defined for mobile zone.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@10755 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-01-27 23:06:21 +00:00
David L Parkhurst
a6390ed8c2 free pors 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@10740 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-01-27 01:53:27 +00:00
David L Parkhurst
7c56b9195e free pors. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@10739 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-01-27 01:49:10 +00:00
David L Parkhurst
f5ea53e0e4 Added porosities. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@10738 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-01-27 01:17:30 +00:00
David L Parkhurst
95133f2b54 Tony's changes. 
Added porosities.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@10737 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-01-26 21:39:37 +00:00
David L Parkhurst
8dc42fee7e Tony fixed the memory problem. 
Will rerun Valgrind one more time.

Revised Amm.dat

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@10736 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-01-25 17:40:40 +00:00
David L Parkhurst
96e537f08d Initialization, memory leak. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@10732 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-01-22 15:42:59 +00:00
David L Parkhurst
891e33bf47 More initialization 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@10731 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-01-22 01:34:20 +00:00
David L Parkhurst
24dd5ede7a Working on valgrind uninitialized variables. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@10730 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-01-22 00:07:22 +00:00
David L Parkhurst
1fcb85d634 use space for cell_data 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@10729 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-01-21 17:45:57 +00:00
David L Parkhurst
964b1665eb Initialize sol_D[l_cell_no].spec 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@10728 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-01-21 17:32:09 +00:00
David L Parkhurst
7f842da63e removed MPI. 
Fixed memory leak.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@10727 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-01-21 16:29:14 +00:00
David L Parkhurst
7fbf8779ce Removed parallelization. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@10726 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-01-21 00:20:02 +00:00
David L Parkhurst
41bb948377 fix for linux, but Cl has NaN 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@10723 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-01-20 22:02:20 +00:00
David L Parkhurst
dbaabe0180 initialize variables 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@10722 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-01-20 21:30:24 +00:00
David L Parkhurst
9644278e49 added Dictionary and Serializer 
Deleted unused files.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@10720 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-01-20 18:19:12 +00:00
David L Parkhurst
174c739d26 Updated concrete source from concrete_parallel source (not using parallel). 
Now going to run test cases on Linux.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@10719 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-01-20 18:12:15 +00:00
David L Parkhurst
5af5488477 Switching back to diagonal_scale false for default. No obvious advantage in test cases to change, and it 
could break someone's runs.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@10711 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-01-20 16:01:03 +00:00
David L Parkhurst
716a978be0 Made diagonal_scale true by default. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@10703 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-01-19 23:06:50 +00:00
David L Parkhurst
516d6937ee Another check for null pointers. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@10664 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-01-11 21:47:58 +00:00
David L Parkhurst
6f7a2e50dd Fixed segvs from Kinniburgh. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@10663 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-01-11 21:01:54 +00:00
David L Parkhurst
a94659326b Fixed formatting for temperature of Specific Conductance. 
Added test cases missing_surf_related_equi, missing_surf_related_kin, and SC_temp.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@10641 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-01-04 17:17:15 +00:00
David L Parkhurst
8f51d9279b Need to set new_def to trap error with surface related to rate. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@10634 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-12-30 21:25:06 +00:00