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50 Commits

Author SHA1 Message Date
David Parkhurst
9022ded877 Tony H2S. Amm.dat, phreeqc.dat, pitzer.dat, utf8, updated test cases 2021-07-06 21:52:06 -06:00
Scott R Charlton
d0c821238d [phreeqci] added 'new' debugging 2021-04-19 17:17:02 -06:00
David Parkhurst
71dc944c9d cl1mp, bad initialization 2021-04-07 11:10:28 -06:00
David Parkhurst
2e5f255c79 fixed errors/warnings from ming and intel 2021-04-06 23:58:52 -06:00
David Parkhurst
369733e9b5 converted to classes 2021-04-06 22:21:54 -06:00
David Parkhurst
33157a2011 fixed more size_t and initialized all structs 2021-04-02 23:55:59 -06:00
David Parkhurst
287f81cdea elt_list vectorized 2021-04-02 12:23:30 -06:00
David Parkhurst
28de8b5cda more size_t 2021-04-01 22:19:48 -06:00
David Parkhurst
028e90899c moving to CReaction 2021-04-01 16:58:43 -06:00
David Parkhurst
dc2dc5312f vectorized token 2021-04-01 09:19:14 -06:00
David Parkhurst
8685225486 fixed clang errors, needed .c_str 2021-03-30 08:39:43 -06:00
David Parkhurst
318e267cf7 (size_t) max and count 2021-03-29 21:15:00 -06:00
David Parkhurst
b5c7ba4a83 going to work on warnings 2021-03-29 14:48:51 -06:00
David Parkhurst
4c848b4e3d all inverse structures vectorized. Starting on solver workspace 2021-03-29 11:41:43 -06:00
David Parkhurst
980d58ebdb finished vectorizing struct inverse. Need to do sub structs 2021-03-29 09:22:09 -06:00
David Parkhurst
d13bb76408 removed count_elts 2021-03-28 23:06:13 -06:00
David Parkhurst
89ab28d76b vector inverse elts 2021-03-28 20:56:22 -06:00
David Parkhurst
51fec19379 class_main 2021-03-26 21:21:20 -06:00
David Parkhurst
c748922b5e added const qualifier for all the parsing 2021-03-26 15:16:04 -06:00
David Parkhurst
2f380479b1 size_t for subscripts 2021-03-20 14:03:20 -06:00
David Parkhurst
ba9813a43c remove .data() 2021-03-18 08:37:34 -06:00
David Parkhurst
b87d0cdd04 vector my_array, residual, delta 2021-03-15 20:23:11 -06:00
David Parkhurst
3c9f5946ef vector master 2021-03-15 14:27:30 -06:00
David Parkhurst
e7c78a88ad vector phases 2021-03-15 12:33:49 -06:00
David Parkhurst
a99253764f (void)sscanf, removed SKIP, removed PHREEQ98 2021-03-12 18:11:29 -07:00
David Parkhurst
81e862db5d Tonys changes Mar 10. SIs in inverse calulations 2021-03-10 14:08:03 -07:00
David Parkhurst
4842d9efba inverse iter 100000; finished copy operator; a bit more testing to go 2018-08-21 11:33:27 -06:00
David Parkhurst
53148278fc Tony's changes; diffuse layer with pitzer 2018-08-01 17:44:32 -06:00
David Parkhurst
fa7a3c7192 Tony's changes and bug fixes 2018-02-17 20:09:31 -07:00
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
Scott R Charlton
64703778f0 updated for R 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@10311 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-09-25 06:30:33 +00:00
David L Parkhurst
a9906af5f6 Fixing VS static checker warnings. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@9300 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-02-24 19:22:09 +00:00
Scott R Charlton
fcff4cc3b7 Fixed left shift operator error and null pointer error for R UBSAN check; 
Added INVERSE_CL1MP guard to cl1mp.cpp;
Added test for ex10


git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@9084 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-12-03 05:19:35 +00:00
David L Parkhurst
bbd0d318b9 Bryant Jurgens, bug with pat file for Netpath. 
Vendome files were wrong in mytest. Need to update.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@9029 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-11-03 16:54:22 +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
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
0ff6f4815f Fixed bug with 18O, redox states not defined in default. 
Also, the logic for using -isotopes data was changed so that the last defined applies to all remaining solutions.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8741 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-05-12 18:07:46 +00:00
David L Parkhurst
8b2c1a8d07 R problem for ex16. 
memcpy was overwriting the same space if i = row.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8703 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-05-05 21:49:38 +00:00
Scott R Charlton
32b9285dfa changes req'd for multi_punch 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/multi_punch@7974 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-08-27 21:36:03 +00:00
Scott R Charlton
a99ef8b3a8 changes req'd for multi_punch 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/multi_punch@7967 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-08-27 05:07:46 +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
1afe3e43f3 Fixed up inverse.cpp a bit. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/multi_punch@7866 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-07-31 23:17:54 +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
d7321bd3e9 skip inverse in no inverse defined. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7721 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-05-15 19:51:34 +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
e60d708c84 Some of Tony's changes that I missed. 
Removed some but not all '

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7652 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-04-26 14:26:24 +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