max/iphreeqc
1
0
Fork 0
mirror of https://git.gfz-potsdam.de/naaice/iphreeqc.git synced 2025-12-16 16:44:49 +01:00
Code Issues Packages Projects Releases Wiki Activity
1,247 Commits 6 Branches 4 Tags
Commit Graph

252 Commits

Author SHA1 Message Date
David Parkhurst
ba2601a32f vector isotope_ratio 2021-03-15 10:36:07 -06:00
David Parkhurst
76da4f89bc finished master_isotope 2021-03-15 10:21:07 -06:00
David Parkhurst
4bb1c8006c vector master_isotope 2021-03-15 10:12:21 -06:00
David Parkhurst
97e574d259 vector calculate_value** 2021-03-15 10:00:15 -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
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
54b992f566 working on tabs and no newline 2020-12-08 20:38:18 -07:00
David Parkhurst
801812ded3 Tony's changes to implicit Nernst-Planck calculation 2020-08-17 14:40:41 -06:00
David Parkhurst
2aef60aa6f Finished up surface and exchange related for cases where related phase or kinetic reaction was modified. Proportionality should now be maintained. Added test cases. 2020-08-11 09:30:32 -06:00
David Parkhurst
569e1e1377 Exchange related. Needed to update in case the related entity changed. 2020-08-10 14:34:06 -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
e18e1ec6be Tony bug fix for TRANSPORT. Harmonic mean for boundary? Added Cub example. 2020-02-21 20:08:27 -07:00
David Parkhurst
8089c10273 initial Tony changes 2019-10-22 16:36:15 -06:00
David Parkhurst
55ea163dd0 Implicit seems to be working with Tony's latest changes 2019-05-30 22:03:38 -06:00
David Parkhurst
c7111f77b2 Sort of works, still bugs and serious errors compared to explicit 2019-05-28 17:05:02 -06:00
David Parkhurst
2b14a9475c Tony's changes 20190117 2019-01-28 17:24:59 -07:00
David Parkhurst
ae6e8b0544 added modify methods for restart files 2018-12-11 17:17:49 -07:00
David Parkhurst
b500c5448b changed restart file to include UZ 2018-11-30 17:41:13 -07:00
David Parkhurst
b86f79386a Beginning to test copy operator 2018-08-16 11:52:11 -06:00
David Parkhurst
ec9de4cfde beginning of checking copy operation 2018-08-13 20:55:53 -06:00
Scott R Charlton
9152ca292e Closes #1 2018-08-02 22:00:47 -06:00
Scott R Charlton
df7d5debc6 Merge branch 'gammas' into 'master' 
Gammas

See merge request coupled/phreeqcrm!1
 2018-08-01 22:29:42 -06:00
David Parkhurst
34abb5b076 gammas finished, working on reactants 2018-08-01 21:32:10 -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
6190fb36be New Basic function TITLE 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@12544 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2017-03-10 18:26:53 +00:00
David L Parkhurst
8421d08eca Updated to phreeqc3-trunk 21475 
Adds some pr h2o tests.
Adds Aphi calculation for Jonathon Toner
Latest Tony tweak on PR.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@12476 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2017-03-01 21:27:37 +00:00
David L Parkhurst
cff3ae90e2 Wrote tranport_cleanup. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@12440 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2017-02-16 21:50:14 +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
03c9d56c09 Tony's updates to allow fixed current. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@11133 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-05-03 16:27:32 +00:00
David L Parkhurst
d2dba8c291 Tony's latest changes. 
New test case SC_Ohm, added to Makefile.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@10983 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-03-26 20:11:29 +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
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
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
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
David L Parkhurst
4e07ab28e7 Optimizations for pitzer.cpp 
Change in PTEMP did not work for unknown reasons.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@9793 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-06-08 15:43:42 +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
9779f9078d Revised sit to use lists. Runs maybe 2-3 times faster. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@9579 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-05-05 18:09:02 +00:00
Scott R Charlton
413fa2a7d4 fixed g++ warnings 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@9561 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-04-28 06:44:08 +00:00
David L Parkhurst
18f0512be6 len=l for callback fortran string. 
Made basic callback string a "const" in 8 places.


git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@9463 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-04-02 22:59:33 +00:00
David L Parkhurst
b255de1643 length argument needed for callback. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@9435 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-03-30 18:38:56 +00:00
David L Parkhurst
ab440058fb Working on IPhreeqc Basic callback. Compiles with ISO_C_BINDING, but may need some more debugging. 
Need to merge this change with PhreeqcRM-trunk.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@9424 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-03-27 22:03:36 +00:00
David L Parkhurst
a6d63e33b5 Commented dead code related to density of water in Pitzer. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@9396 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-03-25 16:47:42 +00:00