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48 Commits

Author SHA1 Message Date
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
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
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
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
fb18be24e2 Tony's implementation of electric current. 
Test case current1.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@10550 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-12-08 16:54:38 +00:00
David L Parkhurst
218f4f5fab Avoid negative moles of equilibrium phase. 
Typo in RELEASE

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@10368 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-10-09 13:29:30 +00:00
David L Parkhurst
e8553de46e Debug prints for Peter de Moel. 
Possible null reference in tidy_solution.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@10325 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-10-01 15:46:09 +00:00
David L Parkhurst
6309425ae9 First try at constant capacitance model. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@9331 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-03-05 18:12:53 +00:00
David L Parkhurst
e04d253995 Added andsurfcomplex4, USER_PUNCH was redefined without commands, caused a segv. 
Set commands to NULL in read_user_punch.


git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8957 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-09-24 16:50:02 +00:00
Scott R Charlton
a2c90e9ea7 changed : to ; 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8909 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-08-05 06:04:53 +00:00
Scott R Charlton
9f77e000d5 fixed some of the easier clang++ scan-build bugs 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8908 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-08-05 05:51:47 +00:00
Scott R Charlton
f1438518eb fixed some of the easier clang++ scan-build bugs 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8907 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-08-05 02:51:35 +00:00
David L Parkhurst
e168691097 Another try to speed up rates. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8890 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-07-29 22:07:19 +00:00
David L Parkhurst
98741bbe32 finalizing compute_gfw 
using map for rates

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8888 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-07-29 20:39:38 +00:00
David L Parkhurst
9f0ee02150 Trying to optimize compute_gfw. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8884 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-07-29 18:51:51 +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
b93eda4643 Fixed leaks: 
SELECTED_OUTPUT redefinition, read_selected_output
zero in cl1mp.cpp
leak in eq_frac Basic function
if file open failed, leaked ofstream pointer


Don't close files in class_main.cpp
cvdense and cvode changed to allow use of MS memory debugging


git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8815 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-07-08 19:05:54 +00:00
David L Parkhurst
8e81c17eb2 Next try on DELETE; -all 
Fixed warnings for MAC lion operating system

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8724 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-05-07 21:27:47 +00:00
Scott R Charlton
3f0cd06d6e Added Peng/Robinson gas parameters and molar volume for solids to keyword PHASES 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8538 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-03-01 07:31:56 +00:00
David L Parkhurst
aee604b56e Changed read _modify to warning if entity not found. 
Tony's bug in phrq_io. punch_ostream was deleted twice.

roughed in REACTION_TEMPERATURE_MODIFY and REACTION_PRESSURE_MODIFY. Think they work, and 
added to test case modify_ignore.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8453 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-02-06 18:28:24 +00:00
David L Parkhurst
f9eff4b835 Use MIX_RAW in dump to read negative numbered mixes. 
Added testcase negative_user_number

Tony's fix for start time units

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8403 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-01-27 22:04:45 +00:00
Scott R Charlton
11de08945d removed unnecessary erase to fix bug in IPhreeqc 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8284 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-12-05 23:57:46 +00:00
Scott R Charlton
5edcc20bb9 added assert for phreeqci 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8092 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-10-01 05:31:36 +00:00
Scott R Charlton
c1687e21b2 updates reqd for vs2010 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8025 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-09-10 22:57:00 +00:00
David L Parkhurst
92a7861814 Added -high_precision to PRINT for USER_PRINT. 
Made dump_cpp always high precision.

Needed to modify ex12a to be consistent with new SELECTED_OUTPUT -active;
SELECTED_OUTPUT -user_print now has different meaning.
No longer set global high_precision from SELECTED_OUTPUT; only SelectedOutput instance value

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7992 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-08-29 16:43:04 +00:00
Scott R Charlton
b88c4901d6 fixed for phreeqc3-multi-punch; 
passes all unit tests

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/multi_punch@7979 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-08-28 05:03:26 +00:00
Scott R Charlton
2c6f8c2284 working on multi_punch tests for IPhreeqc 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/multi_punch@7946 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-08-17 06:18:06 +00:00
Scott R Charlton
a6f82d990e minor reformatting 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/multi_punch@7932 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-08-14 02:16:56 +00:00
David L Parkhurst
9069b4a8b8 logic for headings of selected_output 1; logic of opening selected_output file 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/multi_punch@7931 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-08-14 00:59:02 +00:00
Scott R Charlton
9faaee66d4 fixes compile error on linux; 
changes made for TestIPhreeqc::case2 

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/multi_punch@7923 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-08-13 21:26:16 +00:00
Scott R Charlton
6eaca680af all tests passing for one selected_output file; 
may still need additional tests for TestIPhreeqc case1 and case2

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/multi_punch@7919 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-08-12 22:24:18 +00:00
David L Parkhurst
3682cff05b use reset -false by default for SELECTED_OUTPUT n != 1 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/multi_punch@7886 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-08-06 21:03:02 +00:00
David L Parkhurst
04141a3098 Still working to make backward compatible. 
Think there will be one diff, headings will not be rewritten (ddl_flux).

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/multi_punch@7880 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-08-02 17:38:40 +00:00
David L Parkhurst
62feec3f96 Making backward compatible. 
Copying all but lists.

Revised tidy_punch logic.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/multi_punch@7879 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-08-02 16:00:45 +00:00
David L Parkhurst
ce4284a561 working on high_precision, using SELECTED_OUTPUT 1 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/multi_punch@7876 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-08-01 22:48:14 +00:00
David L Parkhurst
27b3c05684 Working on multipunch 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/multi_punch@7875 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-08-01 21:00:50 +00:00
David L Parkhurst
d436c9cf4f bugs linux caught, something different about when to print headings 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/multi_punch@7874 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-08-01 20:35:33 +00:00
David L Parkhurst
3893414278 Think multiple instances of both SELECTED_OUTPUT and USER_PUNCH are working. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/multi_punch@7865 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-07-31 23:07:07 +00:00
David L Parkhurst
276322a936 Have multiple SELECTED_OUTPUT working. 
Need to have multiple USER_PUNCH.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/multi_punch@7864 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-07-31 19:26:34 +00:00
David L Parkhurst
f127add44a Default_pe is now const char *, saves some string_hsave in clear in prep. 
Test cases are OK.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7722 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-05-15 20:46:20 +00:00
Scott R Charlton
8e3394ca8c fixed checks for successful opening of std::ofstream 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7661 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-04-30 04:38:05 +00:00
David L Parkhurst
0607e086c5 Fix print of PR gases in saturation_indices. 
more replacing '.

Amm.dat and pitzer.dat updated to GCA paper.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7656 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-04-29 16:05:21 +00:00
David L Parkhurst
24ed8b5cc0 Tony's changes for gases. 
Removes some more 's.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7653 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-04-26 16:57:25 +00:00
David L Parkhurst
c42bd89280 LDBLEs 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7588 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-03-29 17:42:27 +00:00
Scott R Charlton
564a0f8af5 moved phreeqc files into src 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/reorg@7308 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-01-10 06:04:12 +00:00
David L Parkhurst
dff0e3454b House cleaning for phreeqcpp 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@787 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2006-02-16 15:40:24 +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