Max Luebke
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2cdfad0e9f
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refactor: reorganize includes and forward declarations in PhreeqcKnobs and PhreeqcMatrix
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2024-12-05 18:09:24 +00:00 |
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Max Lübke
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38268b4aad
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feat: add support for ignoring specified cells in simulation run
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2024-12-04 09:06:40 +00:00 |
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Max Lübke
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52f61f6db0
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test: update PhreeqcEngine tests to skip Charge, H(0), and O(0) values
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2024-12-04 08:07:40 +00:00 |
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Max Lübke
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87e210752d
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Merge branch 'mdl/fixRunner' into 'poet'
Mdl/fix runner
See merge request naaice/iphreeqc!18
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2024-12-03 10:35:13 +01:00 |
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Max Lübke
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7e370d8892
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feat: add golemrunner executable and link with IPhreeqcPOET
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2024-12-03 09:33:18 +00:00 |
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Marco De Lucia
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db0844599f
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add dolo.pqi
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2024-12-03 09:55:15 +01:00 |
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Max Lübke
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d19d0bc695
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feat: integrate PhreeqcKnobs into PhreeqcMatrix; add getKnobs method and update Engine initialization
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2024-12-03 08:07:15 +00:00 |
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Max Lübke
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863fb146c8
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feat: add PhreeqcKnobs class for managing knob parameters; update CMakeLists.txt and add tests
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2024-12-03 08:00:37 +00:00 |
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Max Lübke
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cb4a64efbb
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refactor: remove unused includes from PhreeqcMatrix.hpp and Phreeqc.h
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2024-12-03 06:53:14 +00:00 |
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Marco De Lucia
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f6f89a1161
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Fixed commit
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2024-12-02 18:20:02 +01:00 |
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Max Lübke
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52493bf4f4
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feat: add PhreeqcRunner class and integrate with PhreeqcMatrix; refactor constructors and update CMakeLists.txt
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2024-11-22 13:57:13 +00:00 |
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Max Lübke
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64156134bd
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refactor: reorganize CMakeLists.txt to define source files and integrate testing
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2024-11-22 13:57:13 +00:00 |
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Max Lübke
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969a4cbefd
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refactor: add default destructor for PhreeqcMatrix class
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2024-11-08 12:46:59 +01:00 |
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Max Lübke
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fc9057c2f9
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refactor: change ESSENTIALS array type to const char* for better backward compatibility with gcc 11
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2024-11-07 13:41:34 +01:00 |
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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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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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32aa5527df
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test: Load databases and scripts during runtime
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2024-10-23 10:28:28 +02:00 |
|
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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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 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 |
|
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 |
|
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 |
|
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 |
|
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 |
|
Max Lübke
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9ef1111a39
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Update Documentation
|
2024-05-06 09:53:13 +00:00 |
|
Max Luebke
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8bdbb7bf6b
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BREAKING CHANGE: Add wrappers for reactants to get/set values
|
2024-05-06 09:53:00 +00:00 |
|
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 |
|
Max Luebke
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a554c3fa4f
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Fix reset of cell queue pointer
|
2024-04-03 10:45:41 +00:00 |
|
Max Luebke
|
3e43e0e6db
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Fix cell copy functionality in constructor
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2024-04-02 11:33:14 +00:00 |
|
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 |
|
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 |
|
Max Lübke
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b34c327377
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Refactor getModuleSizes method and remove commented code
|
2024-03-19 08:57:53 +00:00 |
|
Max Luebke
|
d92ab31765
|
Refactor API
|
2024-03-18 23:05:59 +01:00 |
|
Max Luebke
|
54136c8e0c
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Add module sizes
|
2024-03-13 23:49:57 +01:00 |
|
Max Luebke
|
f3f86bb4ac
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Add raw_dumps() function to IPhreeqcPOET.hpp
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2024-03-13 16:55:00 +01:00 |
|
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 |
|
Max Lübke
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1a644baaba
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Add poet library and related files
|
2024-03-08 15:27:52 +01:00 |
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