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27 Commits

Author SHA1 Message Date
Darth Vader
39086e3af2 Squashed 'database/' changes from 488636ae..20e6e440 
20e6e440 still produces different residuals
6ea9caf0 Tony H2S. Amm.dat, phreeqc.dat, pitzer.dat, utf8, updated test cases
c1c97a85 before H2S
a7be9fcf Updated Amm.dat, phreeqc.dat, pitzer.dat for H2S(g)
b40b25fd Another SIT database
fce334ff use cmake for valgrind tests
90f9cb53 checking in test cases using latest revisions. degree sign in pitzer.dat
d45a37e0 database UTF-8
3aa7a146 Tony database update, kinetic_rates example
f385cf57 Tony's updates March 10, 2021
88afb660 Tony's changes March 10, 2021.
4396def4 add databases
e4e5449a [wphast] updated date
4c209593 [phreeqc3] updated image location
beaab1d6 more characters
6b8138c2 fixed degree sign
759cac1f fixed some sit.dat characters
3f258562 updated databases
8be6ec5f update to charlton master
2560903d [phreeqci] Testing subtree merges
1d71804f Merge commit 'a400365a5e06a9cd2ac0aa6e2c51fa4797c631f8'
a400365a [phreeqc3] Testing subtree merges
4296b155 Merge commit '0e8069e37275f23d47e04bd6b7873ec56dfdf088'
0e8069e3 Fixed bug with more porosities than cells in TRANSPORT. Added silica sorption to databases. Revised CalPortDiff
fa7cbaf5 Added .gitlab-ci.yml
6a8d5088 Added .gitlab-ci.yml
cfc208b0 updated installer
164b85d3 Fixed some bugs with iso.dat inverse modeling, added test case. Still does not generate [13C](4) and [13C](-4) from SOLUTION
06e25ec8 Correction to core10.dat from Neveu

git-subtree-dir: database
git-subtree-split: 20e6e440f056358f9887ada878a76d8e3d4ecc64
 2021-10-30 22:54:23 +00:00
Parkhurst
c2aec612a2 Database changes from Tony Feb 15, 2018 2018-02-15 15:52:14 -07:00
David L Parkhurst
a6c8b1cda0 Minor updates to databases. 
Tony fixed potential null pointer.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@12461 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2017-02-23 18:17:22 +00:00
David L Parkhurst
58bb72074a Tony's from 2/10/17 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@12400 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2017-02-10 17:04:35 +00:00
David L Parkhurst
e568a08539 Updated Amm.dat and pitzer.dat 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@10795 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2016-02-03 15:57:14 +00:00
David L Parkhurst
ebe582ad89 Updates for CO2 and CH4 in phreeqc.dat and CH4 in pitzer.dat. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@10176 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-08-27 15:20:57 +00:00
David L Parkhurst
a245bdbf84 Tony's latest CO2. 
looks like Hebach has multiple roots, and
ternary looks off.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@9988 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-07-13 20:17:56 +00:00
David L Parkhurst
c12325b54a Tony reworked calcite and other Pitzer parameters. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@9250 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-02-06 15:43:23 +00:00
David L Parkhurst
ea51a66bb8 Minor changes from Tony. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@9240 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-02-04 17:56:58 +00:00
David L Parkhurst
664fe7c57c Tony's revised Pitzer.dat with Si and revised analytical expressions. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@9229 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-02-02 20:14:21 +00:00
David L Parkhurst
f1f79b56f5 acentric factor for Hdg and H2(g). 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8923 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-08-14 16:32:03 +00:00
David L Parkhurst
d5b545d350 Removed yellow for graphing. 
Changed Li molar volume in Pitzer, Amm, phreeqc.dat
Added test case Vm_LiCl_sol

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8378 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-01-16 15:54:30 +00:00
David L Parkhurst
68e2623733 Hdg, Oxg, and Ntg should be di-atomic. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8200 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-11-18 18:11:35 +00:00
David L Parkhurst
d0f46aac0a Gas dimers should have element atomic wt to convert to moles of element. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8199 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-11-18 17:56:24 +00:00
David L Parkhurst
1f47040125 Tony's updates as of Nov 15, 2013. 
Most recently, PO4.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8191 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-11-15 22:14:04 +00:00
David L Parkhurst
a75c17093a Consistent with GCA paper. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8031 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-09-13 21:03:19 +00:00
David L Parkhurst
cc960c73fa Corrected fits to use a_0 = 6.0 for Fe+2 
Updating RELEASE.TXT

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8027 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-09-12 15:00:35 +00:00
David L Parkhurst
b4c18486ff Tony's new Pitzer.dat 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7916 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-08-12 17:42:51 +00:00
David L Parkhurst
b5f48075ae Fix print of PR gases in saturation_indices. 
more replacing '.

Amm.dat and pitzer.dat updated to GCA paper.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7656 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-04-29 16:05:21 +00:00
David L Parkhurst
d990f2cdc5 Sr SO4 anhydrite revisions to Amm and pitzer.dat 
Tony 20121009

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7004 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2012-10-10 15:59:20 +00:00
David L Parkhurst
a3b4107bfd Tony's latest 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6901 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2012-08-23 17:10:08 +00:00
David L Parkhurst
ceeea4de42 tony updates 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6763 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2012-07-10 16:33:27 +00:00
David L Parkhurst
6655d0bc0a Tony's changes through May 16. 
New databases.

new example rho_CaNaCl

new source integrate, mainsubs, model, PHRQ_io_output, utilities.

New fm examples, input, intro, refs.

My changes to Basic.fm.

New manual examples ex2b and ex22.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6563 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2012-05-17 20:54:17 +00:00
David L Parkhurst
f70e450964 Tony's latest. 
Anhydrite change for phreeqc.dat and pitzer.dat.

Update to phreeqc.dat for Amm.dat.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6536 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2012-04-26 20:23:13 +00:00
David L Parkhurst
195fbfe531 equal_increments synonym in Kinetics. 
Increased max_tries in mainsubs for responding thread.
removed extra calc_dielectrics in prep

Tony's modifications to examples. 

New examples densities, phi_Angus, CO2_K_H.




git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6534 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2012-04-26 16:14:18 +00:00
David L Parkhurst
b842bfedd1 Tony's changes 20120423. 
Changed to supcrit for phreeqc.dat and pitzer.dat.

Updated test cases. 

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6528 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2012-04-24 18:17:47 +00:00
Scott R Charlton
7e2201e213 coping current database directory to phreeqc3 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6501 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2012-04-19 00:05:34 +00:00