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90 Commits

Author SHA1 Message Date
David Parkhurst
4aefb0660a allow Fe(+3), equivalent to Fe(3), in TOT and TOTMOL. Previously fixed in SELECTED_OUTPUT -total 2021-06-03 13:04:35 -06:00
Scott R Charlton
d0c821238d [phreeqci] added 'new' debugging 2021-04-19 17:17:02 -06:00
David Parkhurst
369733e9b5 converted to classes 2021-04-06 22:21:54 -06:00
David Parkhurst
5d76f82542 copy operator works well enough 2021-04-06 00:20:52 -06:00
David Parkhurst
287f81cdea elt_list vectorized 2021-04-02 12:23:30 -06:00
David Parkhurst
ce64720196 cleaned up, removed struct reaction 2021-04-01 18:30:59 -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
9fd3f2a26a save_values rewritten with map 2021-03-30 23:48:37 -06:00
David Parkhurst
1547d91bf4 finished up spread 2021-03-29 18:44:24 -06:00
David Parkhurst
b5c7ba4a83 going to work on warnings 2021-03-29 14:48:51 -06:00
David Parkhurst
82a10d6e4f revised get_elt and get_token 2021-03-27 14:00:45 -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
1850c32c93 basic commands are now std::string 2021-03-23 21:12:46 -06:00
David Parkhurst
d82d5d610f vector llnl parameters, removed hash references 2021-03-23 19:24:09 -06:00
David Parkhurst
cc614e642f add_logk for logk, species, phases 2021-03-22 10:54:43 -06:00
Charlton, Scott R
f8e05c176f only call qsort with more than one element 2021-03-19 17:32:10 -06:00
David Parkhurst
9732a1c5b7 cannot qsort size 0 vector 2021-03-18 15:59:34 -06:00
David Parkhurst
ba9813a43c remove .data() 2021-03-18 08:37:34 -06:00
David Parkhurst
71aa5b9fcf bug count_sys not incremented 2021-03-17 14:42:06 -06:00
David Parkhurst
83cfb298d6 elt_list, moved qsort to elt_list_combine 2021-03-16 08:41:20 -06:00
David Parkhurst
e8c90279e6 vector elt_list 2021-03-16 00:23:56 -06:00
David Parkhurst
622d3618a5 vector s_x 2021-03-15 18:21:12 -06:00
David Parkhurst
e8dd208374 vector sys 2021-03-15 16:22:43 -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
ba2601a32f vector isotope_ratio 2021-03-15 10:36:07 -06:00
David Parkhurst
a99253764f (void)sscanf, removed SKIP, removed PHREEQ98 2021-03-12 18:11:29 -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
e8b11f3472 added optional 6th argument to Basic function sys to change sort order from molality or moles to the name. Added synonym PAD$. Added new mytest/sys_sort. 2021-02-20 20:53:29 -07:00
David Parkhurst
55ea163dd0 Implicit seems to be working with Tony's latest changes 2019-05-30 22:03:38 -06:00
David Parkhurst
c43c9af38d tweaked ss, changed surf function per Kinniburgh 2018-11-06 10:17:35 -07:00
David Parkhurst
b86f79386a Beginning to test copy operator 2018-08-16 11:52:11 -06:00
David Parkhurst
8e12139000 Fixed bug from Shell. Segv because s_list.size differed from count_s_x. 
Fixed compiler warnings from jenkins.
 2018-02-22 14:45:39 -07:00
David Parkhurst
fa7a3c7192 Tony's changes and bug fixes 2018-02-17 20:09:31 -07:00
David L Parkhurst
29a5848dbb Tony's fix for LG function for exchange. 
New test case ExchangeGamma for fix.

User requested ability to show contributions to specific conductance.
Wrote a Basic program that calculates Specific Conductance (same as SC Basic function)
but also shows species contributions to the specific conductance.
PercentSC test case added.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@12711 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2017-05-23 19:37:55 +00:00
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
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
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
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
301d2d009c transport.cpp, ifdefd old viscosity, initialized variables; basicsubs call viscosity();phreeqc, revert ineq_tol 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@10569 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-12-14 20:35:26 +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
Scott R Charlton
6e752e26c4 windows java working with callback 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@10300 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-09-24 06:10:03 +00:00
Scott R Charlton
fbaeb7dcbd working on swig callback 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@10293 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-09-23 04:24:40 +00:00
David L Parkhurst
e7915af7ac Test case edl_species tests the function. 
Works, but maybe questions on thickness for Debye length calculation.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@9916 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-06-30 18:01:55 +00:00
David L Parkhurst
49ba8bca71 Working on edl for PHREEQCRM 
Adding edl_species for PHREEQC.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@9915 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-06-30 17:06:53 +00:00
Scott R Charlton
3e1e2bae17 created IPHREEQC_ENABLE_MODULE option 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@9638 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-05-12 04:48:46 +00:00
David L Parkhurst
ca572ee976 Revised Basic function surf. I broke some functionality when I modified to 
get correct values for H and O. Reverted, but check for H and O, which uses 
another method (surf_total_no_redox).

Modified As to do more checking, including Hfo_w, Hfo_s, and H.

Update As.out.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@9633 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-05-10 19:40:10 +00:00