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Author SHA1 Message Date
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
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
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
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