max/iphreeqc
1
0
Fork 0
mirror of https://git.gfz-potsdam.de/naaice/iphreeqc.git synced 2025-12-15 16:18:22 +01:00
Code Issues Packages Projects Releases Wiki Activity
4,199 Commits 6 Branches 4 Tags
Commit Graph

4199 Commits

This Branch
This Branch
All Branches
Author SHA1 Message Date
Max Lübke
646f166f24 build(cmake): use PROJECT_SOURCE_DIR for target includes 2025-10-28 10:53:37 +01:00
Max Lübke
0ed073309f build(cmake)!: enforce static build for litephreeqc library 2025-10-28 10:20:23 +01:00
Max Lübke
5c398186fd build(cmake): update project name to litephreeqc 2025-10-28 10:03:59 +01:00
Max Lübke
a46bf4d4fe build(deps): update googletest to v1.17.0 2025-10-28 09:54:38 +01:00
Max Lübke
9d48f28708 ci(github-actions): comment out cmake.yml workflow 2025-10-28 09:54:14 +01:00
Max Lübke
cd4c26beed build: disallow litephreeqc build on Windows 2025-10-28 09:50:15 +01:00
Max Lübke
5e972551a8 test: update test suite macro to reflect litephreeqc 2025-10-28 09:40:30 +01:00
Max Lübke
9a454b4ce5 refactor: Rename IPhreeqcPOET to litephreeqc 2025-10-28 09:40:30 +01:00
Max Lübke
85762ad3f3 chore: Add LICENSE.txt for poet directory 
refactor: Rename 'poet' directory to 'litephreeqc'
 2025-10-28 09:39:40 +01:00
Max Lübke
953c752431 Merge branch 'fix-exchange' into 'poet' 
fix: ensure proper value assignment for exchange totals

See merge request naaice/iphreeqc!31
 2025-09-23 12:09:20 +02:00
Max Lübke
a23a1a9f40 fix: ensure proper value assignment for exchange totals 2025-09-23 12:06:55 +02:00
Max Lübke
24b55af288 Merge branch 'golem' into 'poet' 
Merge features from golem

See merge request naaice/iphreeqc!30
 2025-07-29 14:57:25 +02:00
Max Luebke
9cead329e2 test: cleanup test input files 2025-07-29 14:55:22 +02:00
Max Luebke
b7c2574a0d test: adapt tests to new API 2025-07-29 14:53:15 +02:00
Max Luebke
769b02452d test: add supporto for pure phases in reader 2025-07-29 14:52:47 +02:00
Max Luebke
90c5ec80f4 test: add direct IPhreeqcReader 2025-07-29 13:45:57 +02:00
Marco De Lucia
22e1fae555 MDL/golem: some cosmetic fixes 2025-07-28 20:16:08 +02:00
Marco De Lucia
6864285820 MDL/golem: added bunch of getMatrix* getters and poet/test/testGetters.cpp 2025-07-28 20:02:35 +02:00
Max Luebke
cdd360fc2c Engine: add error handling after run 2025-07-28 14:26:13 +02:00
Max Luebke
52cd3ed731 PhreeqcMatrix constructor: add error check after reading script 2025-07-28 14:15:19 +02:00
Marco De Lucia
979cc7dec0 latest debugging script 2025-07-28 13:09:31 +02:00
Marco De Lucia
64d9685b97 testGolemRunner + example 2025-07-28 12:26:20 +02:00
Max Luebke
281595c39f solution: update with tc and patm in setter 2025-07-28 12:13:10 +02:00
Max Luebke
265cd0ae27 kinetics: add "kin" suffix to rate names 2025-07-28 11:42:31 +02:00
Max Luebke
2f2faae5a2 fix missing ignore names 2025-07-28 11:36:57 +02:00
Max Luebke
31250c0857 solution: add tc and patm to essential list 2025-07-28 11:32:30 +02:00
Marco De Lucia
4ea034e4e3 added SolVol, pH and pe to (essentials) 2025-04-03 14:57:07 +02:00
Max Lübke
6e727e2f89 Merge branch 'ml/optional-redox' into 'poet' 
feat: Optional redox states of species in solution

See merge request naaice/iphreeqc!27
 2024-12-18 17:12:08 +01:00
Max Lübke
8ec2e55779 feat: Optional redox states of species in solution 2024-12-18 17:12:07 +01:00
Max Lübke
c6e14a0ce9 Merge branch 'ml/make-H0-O0-optional' into 'poet' 
feat: add option to include H(0) and O(0) in PhreeqcMatrix constructor and related functions

See merge request naaice/iphreeqc!26
 2024-12-18 17:10:49 +01:00
Max Luebke
2c8c311934 fix: remove H(0) and O(0) from SolutionWrapper getter/setter 2024-12-16 14:31:59 +01:00
Max Luebke
46e166c678 feat: add option to include H(0) and O(0) in PhreeqcMatrix constructor and related functions 2024-12-16 10:22:12 +01:00
Max Lübke
e70be6388f Merge branch 'ml/standalone-header' into 'poet' 
refactor: reorganize includes and forward declarations in PhreeqcKnobs and PhreeqcMatrix

See merge request naaice/iphreeqc!25
 2024-12-05 19:13:45 +01:00
Max Luebke
2cdfad0e9f refactor: reorganize includes and forward declarations in PhreeqcKnobs and PhreeqcMatrix 2024-12-05 18:09:24 +00:00
Max Lübke
bdaea707ab Merge branch 'ml/add_ignore_list_to_runner' into 'poet' 
feat: add support for ignoring specified cells in simulation run

See merge request naaice/iphreeqc!23
 2024-12-04 10:08:14 +01:00
Max Lübke
38268b4aad feat: add support for ignoring specified cells in simulation run 2024-12-04 09:06:40 +00:00
Max Lübke
bf6dac4c3f Merge branch '5-bump-to-upstream-version-3-8-5' into 'poet' 
Resolve "Bump to upstream version 3.8.5"

Closes #5

See merge request naaice/iphreeqc!22
v0.3 		2024-12-04 09:14:19 +01:00
Max Lübke
163bb5ef7b fix: variable names in transport.cpp 2024-12-04 08:11:45 +00:00
Max Lübke
52f61f6db0 test: update PhreeqcEngine tests to skip Charge, H(0), and O(0) values 2024-12-04 08:07:40 +00:00
Max Lübke
486fc6d3cc bump version to 3.8.5 in CMakeLists.txt 2024-12-04 08:07:24 +00:00
Max Lübke
088e15b2c1 Merge tag 'v3.8.5' into 5-bump-to-upstream-version-3-8-5 2024-12-04 08:05:51 +00:00
Max Lübke
87e210752d Merge branch 'mdl/fixRunner' into 'poet' 
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' 
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
Max Lübke
ca2289fd71 Merge branch 'ml/porting-poet-features' into 'poet' 
Port features from POET into IPhreeqc

See merge request naaice/iphreeqc!17
 2024-11-22 14:58:55 +01:00