Max Lübke
87e210752d
Merge branch 'mdl/fixRunner' into 'poet'
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Mdl/fix runner
See merge request naaice/iphreeqc!18
2024-12-03 10:35:13 +01:00
Max Lübke
7e370d8892
feat: add golemrunner executable and link with IPhreeqcPOET
2024-12-03 09:33:18 +00:00
Marco De Lucia
db0844599f
add dolo.pqi
2024-12-03 09:55:15 +01:00
Max Lübke
90a2432f03
Merge branch '1-set-knobs-from-original-input-script-for-engines' into 'poet'
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Resolve "Set knobs from original input script for Engines"
Closes #1
See merge request naaice/iphreeqc!19
2024-12-03 09:10:13 +01:00
Max Lübke
d19d0bc695
feat: integrate PhreeqcKnobs into PhreeqcMatrix; add getKnobs method and update Engine initialization
2024-12-03 08:07:15 +00:00
Max Lübke
863fb146c8
feat: add PhreeqcKnobs class for managing knob parameters; update CMakeLists.txt and add tests
2024-12-03 08:00:37 +00:00
Max Lübke
cb4a64efbb
refactor: remove unused includes from PhreeqcMatrix.hpp and Phreeqc.h
2024-12-03 06:53:14 +00:00
Marco De Lucia
f6f89a1161
Fixed commit
2024-12-02 18:20:02 +01:00
Mike Taves
bf60c1ca9d
Fix typos
2024-12-02 15:28:05 +13:00
Mike Taves
51eedbc27a
Fix typos
2024-12-02 15:28:05 +13:00
Mike Taves
26ffbfee94
Fix typos
2024-12-02 15:28:05 +13:00
Mike Taves
a0ea2708e5
Fix typos
2024-12-02 15:28:05 +13:00
Mike Taves
8a45f9f23a
Fix typos
2024-12-02 15:28:05 +13:00
Mike Taves
31af15ae73
Fix typos
2024-12-02 15:28:05 +13:00
Charlton, Scott R.
980068c1dc
Added Authors@R field
2024-11-22 15:45:14 -07:00
Charlton, Scott R.
f2a8c8ee70
Added README.md
2024-11-22 14:46:02 -07:00
Max Lübke
ca2289fd71
Merge branch 'ml/porting-poet-features' into 'poet'
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Port features from POET into IPhreeqc
See merge request naaice/iphreeqc!17
2024-11-22 14:58:55 +01:00
Max Lübke
52493bf4f4
feat: add PhreeqcRunner class and integrate with PhreeqcMatrix; refactor constructors and update CMakeLists.txt
2024-11-22 13:57:13 +00:00
Max Lübke
64156134bd
refactor: reorganize CMakeLists.txt to define source files and integrate testing
2024-11-22 13:57:13 +00:00
Max Lübke
1050a4e156
build: add devcontainer.json + Dockerfile
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chore: remove unneeded build dir
2024-11-22 13:57:13 +00:00
Charlton, Scott R.
f849e9f29f
Changed http -> https
2024-11-21 15:15:08 -07:00
Charlton, Scott R.
cb1ebf2d7f
Added devel for macos and windows
2024-11-21 14:33:39 -07:00
Darth Vader
5286d9779b
Squashed 'phreeqc3-examples/' changes from 8bf42359..09d4a0ba
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09d4a0ba [phreeqc3] (NH4)2SO4 database update from Tony
git-subtree-dir: phreeqc3-examples
git-subtree-split: 09d4a0ba8e3de3165be534cfe76128a746b8e306
2024-11-21 00:30:07 +00:00
Darth Vader
51105d4518
Merge commit '5286d9779b0b7a7e46f43070248b68bb586fb6cc'
2024-11-21 00:30:07 +00:00
Darth Vader
11997540b7
Squashed 'database/' changes from 6ff8cfe3..1a221cd7
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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
94d8708795
Merge commit '11997540b7baf54728361eab8f52495f61d84acb'
2024-11-21 00:30:05 +00:00
Charlton, Scott R
09d4a0ba8e
[phreeqc3] (NH4)2SO4 database update from Tony
2024-11-20 17:25:39 -07:00
David Parkhurst
1a221cd778
(NH4)2SO4 database update from Tony
2024-11-20 14:49:09 -07:00
Darth Vader
efc186d887
Merge commit 'd7add6c470a3941ddca7923366c7b762e7ad095e'
2024-11-19 21:21:33 +00:00
Darth Vader
d7add6c470
Squashed 'phreeqc3-examples/' changes from 14217984..8bf42359
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8bf42359 [phreeqc3] Updated outputs for 3.8.5
git-subtree-dir: phreeqc3-examples
git-subtree-split: 8bf423592e4a25662a9204d8da692f90dd6a4f45
2024-11-19 21:21:32 +00:00
Charlton, Scott R
8bf423592e
[phreeqc3] Updated outputs for 3.8.5
2024-11-19 14:16:37 -07:00
Darth Vader
cb34d045ce
Merge commit 'f8e7a9b6e3ec6398ed657c0c8355a3c66906115f'
2024-11-19 20:21:50 +00:00
Darth Vader
f8e7a9b6e3
Squashed 'phreeqc3-examples/' changes from 48e4f323..14217984
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14217984 Re-encoded ex22 to utf-8
git-subtree-dir: phreeqc3-examples
git-subtree-split: 1421798482260cc1490c159749ca5554b3f4e391
2024-11-19 20:21:50 +00:00
Charlton, Scott R.
d6b0081a8b
Merge pull request #62 from scharlton2/61-cran-build-failing-due-to-non-ascii-examples
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Re-encoded ex22 to utf-8
2024-11-19 13:17:19 -07:00
Charlton, Scott R
1421798482
Re-encoded ex22 to utf-8
2024-11-19 12:56:43 -07:00
Charlton, Scott R.
4507e96f79
Re-encoded ex22 to utf-8
2024-11-19 12:56:43 -07:00
Darth Vader
0014b5b0a5
Merge commit '3e1c0d11a21bedfeb288ed4a8737d0a9287e2e7f'
2024-11-19 01:18:44 +00:00
Darth Vader
048b92e3dd
Merge commit '3e1c0d11a21bedfeb288ed4a8737d0a9287e2e7f'
2024-11-19 01:18:44 +00:00
Darth Vader
3e1c0d11a2
Squashed 'src/' changes from ce34aa5e..7bae85a3
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7bae85a3 Merge commit '80bf22d292021bc23620baa144f0a685fa73a82f'
80bf22d2 Squashed 'phreeqcpp/' changes from b576c75..c369020
3fd5b896 59 compiler error on macos (#60 )
git-subtree-dir: src
git-subtree-split: 7bae85a32f92ccc7ebb8e658fd4f4d16b20217c0
2024-11-19 01:18:43 +00:00
Darth Vader
80bf22d292
Squashed 'phreeqcpp/' changes from b576c75..c369020
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c369020 59 compiler error on macos (#60 )
git-subtree-dir: phreeqcpp
git-subtree-split: c369020dbdaee3179efad614d3e841ed4b470ccf
2024-11-19 01:17:49 +00:00
Darth Vader
7bae85a32f
Merge commit '80bf22d292021bc23620baa144f0a685fa73a82f'
2024-11-19 01:17:49 +00:00
Charlton, Scott R.
8b2126270c
59 compiler error on macos ( #60 )
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* Closes usgs-coupled/iphreeqc#59
2024-11-18 18:10:42 -07:00
Charlton, Scott R.
2c3c7334b7
59 compiler error on macos ( #60 )
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* Closes usgs-coupled/iphreeqc#59
2024-11-18 18:10:42 -07:00
Charlton, Scott R
3fd5b896c9
59 compiler error on macos ( #60 )
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* Closes usgs-coupled/iphreeqc#59
2024-11-18 18:10:42 -07:00
Darth Vader
21df9497a0
Squashed 'src/' changes from 57b3a6cd..ce34aa5e
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ce34aa5e Merge commit '8184121c90728d5026fa0485302e4584a559ffd8'
8184121c Squashed 'phreeqcpp/' changes from f5587da..b576c75
git-subtree-dir: src
git-subtree-split: ce34aa5e05ddf53f5b3b7ae2240437d31a736f4a
2024-11-18 21:29:52 +00:00
Darth Vader
72075d5afb
Merge commit '21df9497a0c5083f8e6add67e29601662ff47598'
2024-11-18 21:29:52 +00:00
Darth Vader
02d8641328
Merge commit '21df9497a0c5083f8e6add67e29601662ff47598'
2024-11-18 21:29:52 +00:00
Darth Vader
8184121c90
Squashed 'phreeqcpp/' changes from f5587da..b576c75
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b576c75 two fixes for charge balance error when using PhreeqcRM.
git-subtree-dir: phreeqcpp
git-subtree-split: b576c752b474cafb9036e6c7b387cfc61d8f6c8d
2024-11-18 21:28:16 +00:00
Darth Vader
ce34aa5e05
Merge commit '8184121c90728d5026fa0485302e4584a559ffd8'
2024-11-18 21:28:16 +00:00
Darth Vader
b0adf3f16b
Squashed 'phreeqc3-doc/' changes from 70e57ae2..fd438d3e
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fd438d3e slight changes to Release.txt
ef355d83 tweak to Release.txt
a75db3f6 Merge branch 'master' into mix_error
44aaa0e6 updated Release.txt for diffuse layer error.
git-subtree-dir: phreeqc3-doc
git-subtree-split: fd438d3e1f3c02dafee64fa92caea2a4c65344e8
2024-11-18 21:27:30 +00:00
