Charlton, Scott R
c1af6f3585
added newlines for CRAN
2021-09-23 06:37:13 -07:00
David Parkhurst
8d7c1fce37
adding mcd_Jtot and mcd_Jconc
2021-08-25 20:22:42 -06:00
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
22c4a624a9
[phreeqci] struct to class changes
2021-04-22 10:50:27 -06:00
Scott R Charlton
c960e059fb
builds on vs2005; still needs to initialize class pitz_param* aphi
2021-04-07 12:35:35 -06:00
David Parkhurst
71dc944c9d
cl1mp, bad initialization
2021-04-07 11:10:28 -06:00
David Parkhurst
2e5f255c79
fixed errors/warnings from ming and intel
2021-04-06 23:58:52 -06:00
David Parkhurst
369733e9b5
converted to classes
2021-04-06 22:21:54 -06:00
David Parkhurst
7bd13ffafa
new/delete theta params, pitz_param_copy
2021-04-04 08:31:58 -06:00
David Parkhurst
87d67929c0
reverting changes to sit_params and theta_params. Will consider using new and delet
2021-04-03 22:26:30 -06:00
David Parkhurst
dcb9efe069
sit_params
2021-04-03 19:28:35 -06:00
David Parkhurst
ac3335ed16
theta_params
2021-04-03 18:36:45 -06:00
David Parkhurst
33157a2011
fixed more size_t and initialized all structs
2021-04-02 23:55:59 -06:00
David Parkhurst
af1b7616ae
removing CReaction and Classes files
2021-04-02 16:57:10 -06:00
David Parkhurst
287f81cdea
elt_list vectorized
2021-04-02 12:23:30 -06:00
David Parkhurst
7228bd0d1e
move struct rxn_token
2021-04-01 23:25:19 -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
9fd3f2a26a
save_values rewritten with map
2021-03-30 23:48:37 -06:00
David Parkhurst
8a6cef5116
vectorized save_values
2021-03-30 16:04:37 -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
4c848b4e3d
all inverse structures vectorized. Starting on solver workspace
2021-03-29 11:41:43 -06:00
David Parkhurst
980d58ebdb
finished vectorizing struct inverse. Need to do sub structs
2021-03-29 09:22:09 -06:00
David Parkhurst
d13bb76408
removed count_elts
2021-03-28 23:06:13 -06:00
David Parkhurst
89ab28d76b
vector inverse elts
2021-03-28 20:56:22 -06:00
David Parkhurst
6d67e22e0c
copier and dash
2021-03-25 09:06:29 -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
2b14f8090e
last_model
2021-03-24 11:20:03 -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
David Parkhurst
67447c5a7b
Removed hashtable, all hashes have been replaced with maps.
2021-03-22 00:01:03 -06:00
David Parkhurst
7d303de1b4
vector trxn.token
2021-03-16 13:19:51 -06:00
David Parkhurst
a99253764f
(void)sscanf, removed SKIP, removed PHREEQ98
2021-03-12 18:11:29 -07:00
David Parkhurst
aa4d02340a
fixed some c2011 warnings, added more info for -formula errors, fixed pressure llnl examples
2020-06-01 12:06:43 -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
8089c10273
initial Tony changes
2019-10-22 16:36:15 -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
7c0fb65b72
[phreeqc3] needed to check gas phase type for same model, added test case
2018-08-06 14:04:12 -06:00
David L Parkhurst
e3bac3dbb9
Updated to svn 12361 on trunk
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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
8421d08eca
Updated to phreeqc3-trunk 21475
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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
025d2a1ee1
Merged in Tony's changes for electro diffusion.
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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
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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
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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
95133f2b54
Tony's changes.
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Added porosities.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@10737 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2016-01-26 21:39:37 +00:00
David L Parkhurst
24dd5ede7a
Working on valgrind uninitialized variables.
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git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@10730 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2016-01-22 00:07:22 +00:00
David L Parkhurst
174c739d26
Updated concrete source from concrete_parallel source (not using parallel).
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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
