Max Lübke
1050a4e156
build: add devcontainer.json + Dockerfile
...
chore: remove unneeded build dir
2024-11-22 13:57:13 +00:00
Marco De Lucia
b6f312f0d0
Merge branch 'ml/add-desctructor' into 'poet'
...
refactor: add default destructor for PhreeqcMatrix class
See merge request naaice/iphreeqc!16
2024-11-08 12:48:48 +01:00
Max Lübke
969a4cbefd
refactor: add default destructor for PhreeqcMatrix class
2024-11-08 12:46:59 +01:00
Max Lübke
61214a01ad
Merge branch 'ml/glic' into 'poet'
...
Code refactoring to allow better support for older compilers & using C=++ features for type-safety and disadvantages of using preprocessor macros
See merge request naaice/iphreeqc!15
2024-11-07 14:21:49 +01:00
Max Lübke
7bb4852cab
refactor: replace preprocessor constants by constexpr for type-safety and other problems
2024-11-07 14:07:33 +01:00
Max Lübke
fc9057c2f9
refactor: change ESSENTIALS array type to const char* for better backward compatibility with gcc 11
2024-11-07 13:41:34 +01:00
Max Lübke
aba7bc2543
Merge branch 'delucia-poet-patch-51492' into 'poet'
...
Update CMakeLists.txt to reflect version 3.8.2
See merge request naaice/iphreeqc!14
2024-11-06 11:44:44 +01:00
Marco De Lucia
7eebc462f9
Update CMakeLists.txt to reflect version 3.8.2
2024-11-06 11:29:38 +01:00
Max Lübke
ed095fcb28
Merge branch 'ml/cleanup' into 'poet'
...
chore: remove unused app directory
See merge request naaice/iphreeqc!13
2024-10-23 13:47:28 +02:00
Max Lübke
62a8f687a1
chore: remove unused app directory
2024-10-23 13:45:52 +02:00
Max Lübke
054c1cb72e
Merge branch 'ml/bump-3.8.2' into 'poet'
...
Bump Phreecq to version 3.8.2
See merge request naaice/iphreeqc!12
2024-10-23 13:43:30 +02:00
Max Lübke
7cc00e335a
Bump Phreecq to version 3.8.2
2024-10-23 13:43:30 +02:00
Max Lübke
017d6bd69d
Merge branch 'ml/add_h0_o0' into 'poet'
...
feat: add H(0) and O(0) to solution list
See merge request naaice/iphreeqc!11
2024-10-23 13:08:28 +02:00
Max Lübke
fd32253456
feat: add test for negative time step
2024-10-23 13:06:32 +02:00
Max Lübke
ef887290cb
test: Add PhreeqcEngine tests
...
fix: Handle reordering of Equilibrium components by Phreeqc
2024-10-23 13:04:50 +02:00
Max Lübke
5478ade84e
feat: add function to query wether a cell id exists
2024-10-23 11:06:33 +02:00
Max Lübke
20333ced36
build: replace deprecated call to FetchContent_Populate
2024-10-23 10:40:30 +02:00
Max Lübke
14195b45dc
ci: Use ninja as build system
2024-10-23 10:29:54 +02:00
Max Lübke
32aa5527df
test: Load databases and scripts during runtime
2024-10-23 10:28:28 +02:00
Max Lübke
26f6e11177
feat: add H(0) and O(0) to solution list
...
refactor: Remove knowledge on "fixed" solution entries from non-wrapper functions
2024-10-23 10:01:49 +02:00
Marco De Lucia
9061e210e6
Merge branch 'ml/improve-API' into 'poet'
...
Improve usability outside POET
See merge request naaice/iphreeqc!10
2024-10-17 14:19:42 +02:00
Max Lübke
c046e907b4
WIP: fix solution heterogeneity
2024-10-16 14:59:24 +02:00
Max Luebke
ee940d20e4
Improve usability outside POET
2024-10-16 14:43:01 +02:00
Max Lübke
e02969c891
Merge branch 'ml/remove-cpp20-api' into 'poet'
...
Improve interoperability with exclusive Cpp language features
See merge request naaice/iphreeqc!9
2024-09-10 18:18:56 +02:00
Max Luebke
e3c3e890df
refactor: Enable std::map::contains only when cpp >= 20 is defined
2024-09-10 18:09:51 +02:00
Marco De Lucia
9722151735
Selfcontained input in app/ipqEngine
2024-09-10 17:29:52 +02:00
Max Lübke
8c2e1ce8e8
refactor: Update printVectorsAsTable function in ipqEngine.cpp
...
- Added "Array Index" column to the table output
2024-09-10 15:18:49 +02:00
Max Lübke
e42c120518
Add 'app' directory from golem branch
2024-09-10 15:08:55 +02:00
Max Lübke
6fd2e96411
refactor: Update C++ standard to c++20 in IPhreeqcPOET target
2024-09-10 09:11:28 +02:00
Max Lübke
324810368e
feat: remove header dependency to c++20 features
2024-09-10 09:11:13 +02:00
Max Lübke
bd1cbceb2c
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
2024-08-29 08:46:47 +02:00
Max Lübke
48e65d87ad
refactor: Comment out unused code in KineticWrapper::names(), leading to doubling of names
2024-08-29 08:25:14 +02:00
Max Lübke
fead98ad38
Merge branch 'ml/fix-cpp-standard' into 'poet'
...
Set C++23 standard for IPhreeqcPOET target
See merge request naaice/iphreeqc!6
2024-08-26 11:22:51 +02:00
Max Luebke
674ac498a9
Set C++23 standard for IPhreeqcPOET target
2024-08-26 11:19:58 +02:00
Max Lübke
9df449db4f
Merge branch 'ml/fix-chemistry' into 'poet'
...
fix: Add missing "H" and "O" primaries
See merge request naaice/iphreeqc!5
2024-05-07 12:29:52 +02:00
Max Lübke
e6e5e0d515
fix: Add missing "H" and "O" primaries
2024-05-07 09:52:22 +00:00
Max Lübke
749fdbc2e9
Merge branch 'ml/add_wrapper' into 'poet'
...
Add wrapper classes to get/set values of Phreeqc Instance
See merge request naaice/iphreeqc!4
2024-05-06 11:56:05 +02:00
Max Lübke
9ef1111a39
Update Documentation
2024-05-06 09:53:13 +00:00
Max Luebke
8bdbb7bf6b
BREAKING CHANGE: Add wrappers for reactants to get/set values
2024-05-06 09:53:00 +00:00
Max Lübke
4ec8b7006c
Merge branch 'add-solution-names-func' into 'poet'
...
Add getSolutionNames() method to IPhreeqcPOET.hpp
See merge request naaice/iphreeqc!3
2024-04-03 14:28:19 +02:00
Max Luebke
c645eea842
Add getSolutionNames() method to IPhreeqcPOET.hpp
2024-04-03 12:28:08 +00:00
Max Lübke
c0c830eab7
Merge branch 'fix-cell-queuing' into 'poet'
...
Fix reset of cell queue pointer
See merge request naaice/iphreeqc!2
2024-04-03 12:45:57 +02:00
Max Luebke
a554c3fa4f
Fix reset of cell queue pointer
2024-04-03 10:45:41 +00:00
Max Lübke
daeecf1126
Merge branch 'tmp/ml' into 'poet'
...
Add Run_Cells functionality
See merge request naaice/iphreeqc!1
2024-04-02 13:34:28 +02:00
Max Luebke
3e43e0e6db
Fix cell copy functionality in constructor
2024-04-02 11:33:14 +00:00
Max Lübke
f695619875
Add queueCell, dequeueCells, runQueuedCells, setCell, and getCell methods
2024-03-28 14:23:05 +00:00
Max Lübke
d6e7130746
Update IPhreeqcPOET constructor to use LoadDatabaseString and RunString methods
2024-03-19 13:11:33 +00:00
Max Lübke
b34c327377
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
Add module sizes
2024-03-13 23:49:57 +01:00
