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35 Commits

Author SHA1 Message Date
David Parkhurst
d82d5d610f vector llnl parameters, removed hash references 2021-03-23 19:24:09 -06:00
David Parkhurst
b100f85334 more new/delete. Fixed str_tolower for ming 2021-03-22 18:42:15 -06:00
David Parkhurst
67447c5a7b Removed hashtable, all hashes have been replaced with maps. 2021-03-22 00:01:03 -06:00
David Parkhurst
c01c8d66bf replace logk_hash_table with logk_map. Added str_tolower(std::string) 2021-03-21 21:09:05 -06:00
David Parkhurst
8bff6d3666 removed HASH code. replaced elements_hash_table with elements_map 2021-03-21 17:39:04 -06:00
David Parkhurst
2f380479b1 size_t for subscripts 2021-03-20 14:03:20 -06:00
David Parkhurst
e8c90279e6 vector elt_list 2021-03-16 00:23:56 -06:00
David Parkhurst
9d9fbfb85e cl1 variables converted to std::vector 2021-03-14 11:45:48 -06:00
David Parkhurst
1e0d410577 using memset 2021-03-14 10:12:47 -06:00
David Parkhurst
54b0d4d133 starting on space 2021-03-14 08:37:40 -06:00
David Parkhurst
a99253764f (void)sscanf, removed SKIP, removed PHREEQ98 2021-03-12 18:11:29 -07:00
Parkhurst, David L
e1465e3322 Commit from David's Email 2020-05-22; Implementing llnl-type databases with higher temperature nad pressure 2020-05-22 15:05:28 -06:00
David Parkhurst
55ea163dd0 Implicit seems to be working with Tony's latest changes 2019-05-30 22:03:38 -06:00
Scott Charlton
936de38474 removed register keywords and updated for misc clang warnings 2018-08-14 16:11:36 -07:00
Scott Charlton
ebeddcde9d [iphreeqc] Changes for CRAN 3.4.7 2018-08-09 12:42:50 -06:00
David Parkhurst
53148278fc Tony's changes; diffuse layer with pitzer 2018-08-01 17:44:32 -06:00
David L Parkhurst
b121ec3bfe Added tests for PR calculations with water ex7_T_P pr_h2o. 
Added to Makefile
Tony's change to prep.cpp to keep phi(H2O) in a good range.
Changes to allow Jonathon Toner to define A(phi).

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@12464 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2017-02-28 21:52:19 +00:00
David L Parkhurst
f997d62a13 [ not handled as upper for solution_spread in copy_token_tab. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@10327 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-10-01 17:07:17 +00:00
David L Parkhurst
4d47ed13fc limit on eps_r in utilities.cpp. 
Added check when reading pitzer parameters that the right number of species is read.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@9390 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-03-24 20:25:58 +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
David L Parkhurst
1c3b396536 r-found error in type mismatch of conditional 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8877 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-07-28 21:23:33 +00:00
David L Parkhurst
4983afc68e Got a request for interacting sites, such as this surface complex. 
Anat_uniOH(Anat_diO)Sn(OH)2-1

Not sure how one would calculate an activity (equivalent fraction), so did not change, but
added add_elt_list_multi_surf for a start. Would also need to change gammas to 
change the way the activity coefficient for the mixed species was calculated.



git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8009 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-09-05 17:06:20 +00:00
David L Parkhurst
79698b010d Tony's fixes for Pitzer, High Pressure is still not right, 
will require more fitting.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7854 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-07-23 14:51:26 +00:00
David L Parkhurst
c176fe3b2e Cleaning up code. 
Removed PHREEQC2 ifdef.

Some SKIP.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7717 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-05-14 20:15:31 +00:00
David L Parkhurst
6911259725 CLOCKS_PER_SEC 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7654 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-04-26 20:53:22 +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
David L Parkhurst
d5fa02a72a a little rearranging of global_structures and under 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7613 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-04-03 21:36:03 +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
David L Parkhurst
7bb4d37189 cvode 
MAX_ITERS 40
   hnew = hg
   predict_fail
   CVMEM cvode_error == TRUE || predict_fail after CVnls
   if (CVMEM cvode_error == TRUE) after CVNewtonIteration
   CVDoErrorTest exit(4);

model
Phreeqc.cpp
pitzer.cpp
sit.cpp
   new status ifdef'd with NPP
   250 ms delay
   new global variable std::string string_status

!!prep: switch_bases 10 to 100 orders of mag. Need to check

utilities.cpp: new status



git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7585 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-03-29 16:03:51 +00:00
David L Parkhurst
a1d93167ae Tony's changes to the status timer. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7438 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-02-04 19:25:05 +00:00
David L Parkhurst
c8c26e81e9 Tony's new Pitzer test cases 
Updated Run_salt.bat
Updated Makefile

Tony's changes through 20130129a

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7400 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-01-29 16:37:25 +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