47 Commits

Author SHA1 Message Date
Darth Vader
48d952740c Squashed 'database/' changes from bf60c1ca..4e898381
4e898381 Merge branch 'master' into mix_error
20d3a9e5 Fixed examples to have fewer warnings. Fixed headers of some database files. Changed some output from warnings to comments.

git-subtree-dir: database
git-subtree-split: 4e898381542ce722cd7c3c74fe9c2592ec34d41b
2025-01-07 20:00:03 +00:00
Darth Vader
11997540b7 Squashed 'database/' changes from 6ff8cfe3..1a221cd7
1a221cd7 (NH4)2SO4 database update from Tony

git-subtree-dir: database
git-subtree-split: 1a221cd778c932dbc43f6d7601a3e43985f3e935
2024-11-21 00:30:05 +00:00
Darth Vader
cb834cf03d Squashed 'database/' changes from 1db6b42f..6ff8cfe3
6ff8cfe3 Added documentation for GAS_BINARY_PARAMETERS
a3cbc5d8 Made GAS_BINARY_PARAMETERS backward compatible
e5780c95 GAS_BINARY_PARAMETERS implemented. gas_binary_parameters test case
c1dd17c7 Tweaked H+ viscosity in databases, new test cases fig1 and H_HCl_HBr

git-subtree-dir: database
git-subtree-split: 6ff8cfe34150e60683b6ceb5c252ae07c211f976
2024-11-14 01:37:18 +00:00
Darth Vader
9f148afd1a Squashed 'database/' changes from 5146dd68..24d2c771
24d2c771 Tony updated OH- viscosity

git-subtree-dir: database
git-subtree-split: 24d2c771f3830a122fc3f91d5f0b185c0128bdfb
2024-09-24 22:03:35 +00:00
Darth Vader
3a070775e2 Squashed 'database/' changes from 307253d3..c51839c6
c51839c6 Changed back to AmmH

git-subtree-dir: database
git-subtree-split: c51839c62249bbad9126d4e7aca71a3e4c598a76
2024-06-25 19:35:20 +00:00
Darth Vader
ca69fc3314 Squashed 'database/' changes from b5394351..307253d3
307253d3 Fixed AmmH in Amm.dat and comments in phreeqc.dat and phreeqc_rates.dat

git-subtree-dir: database
git-subtree-split: 307253d3f96635e2bd94cf6deecd72ac9dcbcb82
2024-06-20 21:53:24 +00:00
Darth Vader
b27777460b Squashed 'database/' changes from e39a5d3c..9bf3c42d
9bf3c42d 20240607b pitzer.dat
bab2c2e2 20240607a database22.zip
9064885f 20240607 database2.zip from Tony
a4a7ecab Tony's change to Sr and NH4, SC_Ohm and rate_xmpls, basicsubs.cpp error

git-subtree-dir: database
git-subtree-split: 9bf3c42d7c3df8472e2e83b0138032fe8697990b
2024-06-07 21:57:02 +00:00
Darth Vader
7bdb964b79 Squashed 'database/' changes from 26398a44..e39a5d3c
e39a5d3c fixed Br- in phreeqc_rates.dat
939517fc Tonys changes to Br in phreeqc.dat, amm.dat, and pitzer.dat. New test case NaK_ClBr.

git-subtree-dir: database
git-subtree-split: e39a5d3c5e703dbad6f91400acee67bb270de636
2024-05-27 19:32:09 +00:00
Darth Vader
f47551aabd Squashed 'database/' changes from 017185a7..26398a44
26398a44 lsp of databases, changed alk of e- to 1.0 in all databases, modified sit.dat
1c2e59be Tony revised latest sit with lsp
1693e0c1 New version from Tony
5faf092b Tony revisions to phreeqc_rates.dat and rate_xmpls
0bcc9db0 Tony tweaked phreeqc_rates.dat and added rate_xmpls test case.

git-subtree-dir: database
git-subtree-split: 26398a442446dc31463fb08c3d1cd06df609b633
2024-05-20 17:29:37 +00:00
Darth Vader
c276bbc3d1 Squashed 'database/' changes from 49d82d37..0d58080e
0d58080e fixed case of Kinec.v2.dat
71e10f57 Removed CALCULATE_VALUES, added MEAN_GAMMAS, made phreeqc_rates.dat, updated CMakeLists, ran all examples, added test case ss_kinetics
93ba7f97 Tony's latest databases
b6ecf248 added Kinec.v2.dat and updated RELEASE.TXT

git-subtree-dir: database
git-subtree-split: 0d58080e75184dc9c9020204ae6a2c300d0c7f02
2024-05-07 22:42:04 +00:00
Darth Vader
519b2e6b4c Squashed 'database/' changes from bae20ea7..49d82d37
49d82d37 fix for new Valgrind problem. Added a newer CEMDATA database for the database collection.
ad2440a3 Tony changes 20240414, with correction to CH4 Vm. Changes to src. seaw_SC expanded.
b3469711 Merge branch 'master' into viscosity
87eeeec8 Merge branch 'master' into viscosity

git-subtree-dir: database
git-subtree-split: 49d82d37607fa4814aa4f13df0960ffd36e8fdcf
2024-04-18 18:17:13 +00:00
Darth Vader
4a0af1be39 Squashed 'database/' changes from 22eb9506..bae20ea7
bae20ea7 Merge pull request #45 from dlparkhurst/viscosity
d18452f3 All test cases run. Fixed CALCULATED_VALUES and RATES in Amm.dat and phreeqc.dat
5c6d1c5a Tony's changes Mar 15, 2024
39130824 Tony's changes Mar 15, 2024
bc1f8f86 Tony's changes Mar 15, 2024
3318883e Tony's Mar 15, changes.
77038cb6 modified NH3 from Tony's Amm.dat
e510f752 Tony's changes 2/12/2024

git-subtree-dir: database
git-subtree-split: bae20ea7e849a914e6abea15c71cdad69db68db7
2024-04-17 00:17:32 +00:00
Darth Vader
25d296d554 Squashed 'database/' changes from 64d92a5a..6b0972bd
6b0972bd Merge remote-tracking branch 'origin/master'
f9d7fa2d Tony's changes May 5 and 7.
2f8712a3 Tweaked RELEASE.TXT, fixed another GFW, this time redox.dat
5278d54f Fixed Sg gfw and alkalinity in Amm.dat, phreeqc.dat, and pitzer.dat. Updated RELEASE.TXT

git-subtree-dir: database
git-subtree-split: 6b0972bd436a1ca6d7dfaf69d5d5307d8b232513
2023-05-26 04:22:38 +00:00
Darth Vader
70f82ce8d6 Squashed 'database/' changes from 91aa5fd8..fd9eb5ee
fd9eb5ee Tony's viscosity with many examples

git-subtree-dir: database
git-subtree-split: fd9eb5ee8ab232613fc558fa2e11f2c37cc21c5f
2023-04-10 18:26:21 +00:00
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
a01c63bfd2 Tony's latest database merged with Amm.dat and phreeqc.dat
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@12389 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2017-02-09 20:38:02 +00:00
David L Parkhurst
447131a17e 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
be9da22c5c Updated Vm for minerals from SVN 18982 of trunk for
Amm.dat and
phreeqc.dat.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@10894 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2016-03-04 18:24:03 +00:00
David L Parkhurst
a1959e126b Updated phreeqc.dat
Added Vm back for Fe+2 and Mn+2

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@10796 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2016-02-03 16:14:51 +00:00
David L Parkhurst
5eb4c464a0 Errors in comments of RATE definitions for K-spar and Albite.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@10537 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2015-11-30 17:22:29 +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
c940f08cd1 Updated Quartz
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@9462 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2015-04-02 22:01:19 +00:00
David L Parkhurst
cc015bdffc With Tony's revisions.
Still need to fix quartz in phreeqc.dat and Amm.dat.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@9461 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2015-04-02 21:46:29 +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
f19fe4443d Nitrogen species as N.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8201 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2013-11-18 20:35:15 +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
0aa9f68d2a Missed Alkalinity in N(-3).
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8192 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2013-11-15 23:08:31 +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
690518be8e Tony's latest changes, including F1 and F2.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7962 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2013-08-26 20:20:16 +00:00
David L Parkhurst
d45828122c Fixed gammas for BaX2 and AlOHX2
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7826 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2013-07-16 15:01:30 +00:00
David L Parkhurst
f542086e31 Revised to be consistent with Amm.dat
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7663 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2013-04-30 15:13:17 +00:00
David L Parkhurst
f7f89fa3fb Tony 11/14/2012
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7080 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2012-11-14 21:00:44 +00:00
David L Parkhurst
5e54bb192d Updated phreeqc.dat to Amm.dat.
Removed CaF+ ion pair.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7075 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2012-11-14 14:56:33 +00:00
David L Parkhurst
48fe5fbba7 dlp changes to make phreeqc consistent with wateq4f.dat.
phreeqc.dat will probably change because of Tony's fitting.

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@6895 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2012-08-21 18:10:05 +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