76 Commits

Author SHA1 Message Date
David Parkhurst
369733e9b5 converted to classes 2021-04-06 22:21:54 -06:00
David Parkhurst
7228bd0d1e move struct rxn_token 2021-04-01 23:25:19 -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
318e267cf7 (size_t) max and count 2021-03-29 21:15:00 -06:00
David Parkhurst
5f21dafa04 unknown->master now a vector. Using size instead of a null to end list. 2021-03-24 21:54:37 -06:00
David Parkhurst
2b14f8090e last_model 2021-03-24 11:20:03 -06:00
David Parkhurst
d82d5d610f vector llnl parameters, removed hash references 2021-03-23 19:24:09 -06:00
David Parkhurst
90e9ee0263 removed ineq_init. Vector advection_print, advection_punch 2021-03-21 14:07:31 -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
f136feb6ce Merging origin/master.
Merge remote-tracking branch 'origin/master' into warnings_redux
2021-03-17 15:04:52 -06:00
David Parkhurst
d4cc14ef43 vector x 2021-03-16 19:03:54 -06:00
David Parkhurst
41b9965576 vector species_list 2021-03-16 17:12:41 -06:00
David Parkhurst
51514eb125 vector delta, sum_jacobx 2021-03-16 15:50:20 -06:00
David Parkhurst
f0707aa0b3 vector sum_mb1, sum_mb2 2021-03-16 14:50:43 -06:00
David Parkhurst
b87d0cdd04 vector my_array, residual, delta 2021-03-15 20:23:11 -06:00
David Parkhurst
622d3618a5 vector s_x 2021-03-15 18:21:12 -06:00
David Parkhurst
3c9f5946ef vector master 2021-03-15 14:27:30 -06:00
David Parkhurst
de1ba62395 vector s 2021-03-15 13:21:14 -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
Scott Charlton
5a649c2b48 Merge pull request #2 from usgs-coupled/gasphasepressures
Fixed uninitialized constructors and couple of other warnings
2021-03-13 19:10:48 -07:00
David Parkhurst
a99253764f (void)sscanf, removed SKIP, removed PHREEQ98 2021-03-12 18:11:29 -07:00
David Parkhurst
d9ced82fda Fixed uninitialized constructors and couple of other warnings 2021-03-12 07:50:01 -07:00
David Parkhurst
fcee4d5da4 Added delta_h_species, delta_h_phase, dh_a0, dh_bdot Basic functions 2021-03-11 08:52:45 -07:00
David Parkhurst
aa4d02340a fixed some c2011 warnings, added more info for -formula errors, fixed pressure llnl examples 2020-06-01 12:06:43 -06:00
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
9a29aaf83d Last Linux compile warnings. Added more precision to andra_kin_ss. 2019-11-19 12:33:58 -07:00
David Parkhurst
fbde6338ec Fixing Linux compiler warnings, checking in new regression test files. 2019-11-19 09:31:10 -07:00
David Parkhurst
3fd8155d56 changes to solid solution numerical method 2019-01-28 21:08:54 -07:00
David Parkhurst
2b14a9475c Tony's changes 20190117 2019-01-28 17:24:59 -07:00
David Parkhurst
fffac6d359 another try for ex20_debug 2018-11-07 23:04:05 -07:00
David Parkhurst
fa5ee50494 fix problem with ex20_debug 2018-11-07 20:03:36 -07:00
David Parkhurst
c43c9af38d tweaked ss, changed surf function per Kinniburgh 2018-11-06 10:17:35 -07:00
David Parkhurst
d74c8ff554 Corrected syntax of integer limit 2018-11-03 22:33:06 -06:00
David Parkhurst
058375c2bf removed check of ss when sum of components is small 2018-10-31 14:01:22 -06:00
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 Parkhurst
4271ca42ad Tonys corrections, added balonis test 2018-08-01 15:33:36 -06:00
David L Parkhurst
b5ef46d09a Tony's changes.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@12858 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2017-09-28 21:48:05 +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
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
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
2dd34675ab Tony's fix for erm (enrichment factors).
New test case erm.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@10013 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2015-07-21 20:37:03 +00:00
David L Parkhurst
72352f536a mu=0 in one of Kinniburgh's problems.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@10006 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2015-07-17 15:55:10 +00:00
David L Parkhurst
51db3a1569 Shrink array for SIT
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@9648 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2015-05-13 20:42:47 +00:00
David L Parkhurst
75cce6a2a2 Do not use full pitzer for all retries in run_wrapper only number 4.
Eliminate lg rows from array if not full_pitzer.

Make lists at the end of prep (may be in error on trunk for initial solutions).

sit_revise_guesses had some bad logic, now tries to get within a factor of 2 (fail logic revised).

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/sit@9614 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2015-05-08 17:52:03 +00:00