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Commit Graph

80 Commits

Author SHA1 Message Date
David Parkhurst
9022ded877 Tony H2S. Amm.dat, phreeqc.dat, pitzer.dat, utf8, updated test cases 2021-07-06 21:52:06 -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
d2e3a4e5b6 Removed cxxChemRxn 2021-04-01 20:24:32 -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
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
3c432d0535 user_graph commands, alk_list 2021-03-24 12:09:31 -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
2f380479b1 size_t for subscripts 2021-03-20 14:03:20 -06:00
Charlton, Scott R
f8e05c176f only call qsort with more than one element 2021-03-19 17:32:10 -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
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
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
54b992f566 working on tabs and no newline 2020-12-08 20:38:18 -07:00
David Parkhurst
43988f06a6 initialize punch_newline 2020-11-25 15:53:50 -07:00
David Parkhurst
1362f0ff8a Added EOL_NOTAB$ and NO_NEWLINE$, updated release notes 2020-11-24 14:09:28 -07:00
Charlton, Scott R
87bbb6a6f0 adjusted alignment for utf-8 strings 2020-09-05 21:06:50 -07:00
Charlton, Scott R
995de526c0 converted to utf-8 2020-09-03 12:54:51 -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
f07caf973b Changed back print to allow incremental_reactions to work correctly 2019-11-18 20:32:46 -07:00
David Parkhurst
8089c10273 initial Tony changes 2019-10-22 16:36:15 -06:00
David Parkhurst
2b14a9475c Tony's changes 20190117 2019-01-28 17:24:59 -07:00
David Parkhurst
5a35e0278b Fixed Linux warnings, memory errors 2018-08-16 20:35:44 -06:00
David Parkhurst
53148278fc Tony's changes; diffuse layer with pitzer 2018-08-01 17:44:32 -06:00
David Parkhurst
86a55b5b5d Tony's changes from 20180305 2018-03-07 17:08:33 -07:00
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
2c1f1b3354 Synced with PHREEQC 12683. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@12683 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2017-04-25 18:03:14 +00:00
David L Parkhurst
e3bac3dbb9 Updated to svn 12361 on trunk 
Added documentation for density calculate



git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@12635 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2017-03-29 20:48:54 +00:00
David L Parkhurst
9d2762b15e Merge to trunk 12441. 
if def comment about Ampere

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@12444 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2017-02-17 00:14:46 +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
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
e6d44638b3 Extra print for Donnan Layer psi from Tony. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@10177 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-08-27 15:22:34 +00:00
David L Parkhurst
6309425ae9 First try at constant capacitance model. 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@9331 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2015-03-05 18:12:53 +00:00
Scott R Charlton
9f77e000d5 fixed some of the easier clang++ scan-build bugs 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8908 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-08-05 05:51:47 +00:00
Scott R Charlton
25508288fb removed set but not used variables using gcc 4.8.2[-Wunused-but-set-variable] 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8821 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-07-09 01:46:43 +00:00
Scott R Charlton
9d05f14cbd removed extra comma 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8729 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-05-08 02:38:33 +00:00
David L Parkhurst
8e81c17eb2 Next try on DELETE; -all 
Fixed warnings for MAC lion operating system

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8724 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-05-07 21:27:47 +00:00
Scott R Charlton
63a9c36ad8 changed so that 'dist' and 'time' are always doubles for R 
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8446 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-02-06 00:40:58 +00:00
David L Parkhurst
4ec2784a6b Tony's fix to solution volume. 
Added test case, updated Makefile
Added comment to Release.txt

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8356 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2014-01-07 16:11:24 +00:00
David L Parkhurst
9d1f0e34e5 set unknown state just in case. 
extra indent in write_raw for solution in front of -pH

git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@8071 1feff8c3-07ed-0310-ac33-dd36852eb9cd
 2013-09-23 18:25:40 +00:00