Max Lübke
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aba7bc2543
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Merge branch 'delucia-poet-patch-51492' into 'poet'
Update CMakeLists.txt to reflect version 3.8.2
See merge request naaice/iphreeqc!14
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2024-11-06 11:44:44 +01:00 |
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Marco De Lucia
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7eebc462f9
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Update CMakeLists.txt to reflect version 3.8.2
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2024-11-06 11:29:38 +01:00 |
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Max Lübke
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ed095fcb28
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Merge branch 'ml/cleanup' into 'poet'
chore: remove unused app directory
See merge request naaice/iphreeqc!13
v0.2
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2024-10-23 13:47:28 +02:00 |
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Max Lübke
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62a8f687a1
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chore: remove unused app directory
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2024-10-23 13:45:52 +02:00 |
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Max Lübke
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054c1cb72e
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Merge branch 'ml/bump-3.8.2' into 'poet'
Bump Phreecq to version 3.8.2
See merge request naaice/iphreeqc!12
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2024-10-23 13:43:30 +02:00 |
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Max Lübke
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7cc00e335a
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Bump Phreecq to version 3.8.2
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2024-10-23 13:43:30 +02:00 |
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Max Lübke
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017d6bd69d
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Merge branch 'ml/add_h0_o0' into 'poet'
feat: add H(0) and O(0) to solution list
See merge request naaice/iphreeqc!11
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2024-10-23 13:08:28 +02:00 |
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Max Lübke
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fd32253456
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feat: add test for negative time step
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2024-10-23 13:06:32 +02:00 |
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Max Lübke
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ef887290cb
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test: Add PhreeqcEngine tests
fix: Handle reordering of Equilibrium components by Phreeqc
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2024-10-23 13:04:50 +02:00 |
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Max Lübke
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5478ade84e
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feat: add function to query wether a cell id exists
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2024-10-23 11:06:33 +02:00 |
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Max Lübke
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20333ced36
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build: replace deprecated call to FetchContent_Populate
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2024-10-23 10:40:30 +02:00 |
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Max Lübke
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14195b45dc
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ci: Use ninja as build system
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2024-10-23 10:29:54 +02:00 |
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Max Lübke
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32aa5527df
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test: Load databases and scripts during runtime
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2024-10-23 10:28:28 +02:00 |
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Max Lübke
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26f6e11177
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feat: add H(0) and O(0) to solution list
refactor: Remove knowledge on "fixed" solution entries from non-wrapper functions
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2024-10-23 10:01:49 +02:00 |
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Marco De Lucia
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9061e210e6
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Merge branch 'ml/improve-API' into 'poet'
Improve usability outside POET
See merge request naaice/iphreeqc!10
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2024-10-17 14:19:42 +02:00 |
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Max Lübke
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c046e907b4
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WIP: fix solution heterogeneity
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2024-10-16 14:59:24 +02:00 |
|
Max Luebke
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ee940d20e4
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Improve usability outside POET
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2024-10-16 14:43:01 +02:00 |
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Max Lübke
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e02969c891
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Merge branch 'ml/remove-cpp20-api' into 'poet'
Improve interoperability with exclusive Cpp language features
See merge request naaice/iphreeqc!9
v0.1
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2024-09-10 18:18:56 +02:00 |
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Max Luebke
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e3c3e890df
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refactor: Enable std::map::contains only when cpp >= 20 is defined
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2024-09-10 18:09:51 +02:00 |
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Marco De Lucia
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9722151735
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Selfcontained input in app/ipqEngine
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2024-09-10 17:29:52 +02:00 |
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Max Lübke
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8c2e1ce8e8
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refactor: Update printVectorsAsTable function in ipqEngine.cpp
- Added "Array Index" column to the table output
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2024-09-10 15:18:49 +02:00 |
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Max Lübke
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e42c120518
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Add 'app' directory from golem branch
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2024-09-10 15:08:55 +02:00 |
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Max Lübke
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6fd2e96411
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refactor: Update C++ standard to c++20 in IPhreeqcPOET target
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2024-09-10 09:11:28 +02:00 |
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Max Lübke
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324810368e
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feat: remove header dependency to c++20 features
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2024-09-10 09:11:13 +02:00 |
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Max Lübke
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bd1cbceb2c
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Merge branch 'ml/kinetic-names' into 'poet'
refactor: Comment out unused code in KineticWrapper::names(), leading to name duplication
See merge request naaice/iphreeqc!8
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2024-08-29 08:46:47 +02:00 |
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Max Lübke
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48e65d87ad
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refactor: Comment out unused code in KineticWrapper::names(), leading to doubling of names
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2024-08-29 08:25:14 +02:00 |
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Max Lübke
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fead98ad38
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Merge branch 'ml/fix-cpp-standard' into 'poet'
Set C++23 standard for IPhreeqcPOET target
See merge request naaice/iphreeqc!6
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2024-08-26 11:22:51 +02:00 |
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Max Luebke
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674ac498a9
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Set C++23 standard for IPhreeqcPOET target
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2024-08-26 11:19:58 +02:00 |
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Max Lübke
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9df449db4f
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Merge branch 'ml/fix-chemistry' into 'poet'
fix: Add missing "H" and "O" primaries
See merge request naaice/iphreeqc!5
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2024-05-07 12:29:52 +02:00 |
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Max Lübke
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e6e5e0d515
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fix: Add missing "H" and "O" primaries
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2024-05-07 09:52:22 +00:00 |
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Max Lübke
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749fdbc2e9
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Merge branch 'ml/add_wrapper' into 'poet'
Add wrapper classes to get/set values of Phreeqc Instance
See merge request naaice/iphreeqc!4
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2024-05-06 11:56:05 +02:00 |
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Max Lübke
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9ef1111a39
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Update Documentation
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2024-05-06 09:53:13 +00:00 |
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Max Luebke
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8bdbb7bf6b
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BREAKING CHANGE: Add wrappers for reactants to get/set values
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2024-05-06 09:53:00 +00:00 |
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Max Lübke
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4ec8b7006c
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Merge branch 'add-solution-names-func' into 'poet'
Add getSolutionNames() method to IPhreeqcPOET.hpp
See merge request naaice/iphreeqc!3
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2024-04-03 14:28:19 +02:00 |
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Max Luebke
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c645eea842
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Add getSolutionNames() method to IPhreeqcPOET.hpp
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2024-04-03 12:28:08 +00:00 |
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Max Lübke
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c0c830eab7
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Merge branch 'fix-cell-queuing' into 'poet'
Fix reset of cell queue pointer
See merge request naaice/iphreeqc!2
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2024-04-03 12:45:57 +02:00 |
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Max Luebke
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a554c3fa4f
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Fix reset of cell queue pointer
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2024-04-03 10:45:41 +00:00 |
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Max Lübke
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daeecf1126
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Merge branch 'tmp/ml' into 'poet'
Add Run_Cells functionality
See merge request naaice/iphreeqc!1
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2024-04-02 13:34:28 +02:00 |
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Max Luebke
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3e43e0e6db
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Fix cell copy functionality in constructor
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2024-04-02 11:33:14 +00:00 |
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Max Lübke
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f695619875
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Add queueCell, dequeueCells, runQueuedCells, setCell, and getCell methods
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2024-03-28 14:23:05 +00:00 |
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Max Lübke
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d6e7130746
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Update IPhreeqcPOET constructor to use LoadDatabaseString and RunString methods
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2024-03-19 13:11:33 +00:00 |
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Max Lübke
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b34c327377
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Refactor getModuleSizes method and remove commented code
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2024-03-19 08:57:53 +00:00 |
|
Max Luebke
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d92ab31765
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Refactor API
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2024-03-18 23:05:59 +01:00 |
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Max Luebke
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54136c8e0c
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Add module sizes
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2024-03-13 23:49:57 +01:00 |
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Max Luebke
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f3f86bb4ac
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Add raw_dumps() function to IPhreeqcPOET.hpp
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2024-03-13 16:55:00 +01:00 |
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Max Luebke
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9cb2aba57a
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Add SolutionMapping struct and related methods to IPhreeqc and IPhreeqcPOET classes
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2024-03-09 23:51:15 +01:00 |
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Max Lübke
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1a644baaba
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Add poet library and related files
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2024-03-08 15:27:52 +01:00 |
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Max Lübke
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5422384a43
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Ignore additional files and folders
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2024-03-08 15:27:46 +01:00 |
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Max Lübke
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68f4e7723f
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Apply patches from GFZ
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2024-03-08 15:27:38 +01:00 |
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Darth Vader
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ba475ee488
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Merge commit 'd59be381ee545f7c2295428fd731d80fb2727b58'
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2024-03-05 18:15:01 +00:00 |
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