400 Commits

Author SHA1 Message Date
Hannes Martin Signer
cc439e7b5e Merge branch 'update-scheme' into 'main'
update poet scheme

See merge request naaice/poet!42
2024-12-10 15:03:54 +01:00
Hannes Martin Signer
4d20b7c5bd Update 2 files
- /docs/POET_scheme.svg
- /docs/POET.drawio
2024-12-10 15:02:45 +01:00
Max Lübke
4737330786 Merge branch 'update-poet-scheme' into 'main'
update POET scheme

See merge request naaice/poet!41
2024-12-10 11:15:48 +01:00
Hannes Martin Signer
e40e6cb82f update POET scheme 2024-12-10 11:14:01 +01:00
Max Lübke
e920ab2811 Merge branch 'ml/iphreeqc-v0.3' into 'main'
Update IPhreeqc Submodule to v0.3

See merge request naaice/poet!40
2024-12-04 11:35:27 +01:00
Max Lübke
4d63544092 refactor: Replace PhreeqcEngine instances with PhreeqcRunner for improved chemistry processing 2024-12-04 10:34:13 +00:00
Max Lübke
c1ed926198 build: Enhance Dockerfile for improved environment setup and dependency management 2024-12-04 08:44:55 +00:00
Max Lübke
e31019e957 Merge branch 'ml/misc' into 'main'
Various changes to build files (CMake & devcontainer)

See merge request naaice/poet!38
2024-11-07 20:57:45 +01:00
Max Lübke
0ea5d70423 build: Update Dockerfile and devcontainer.json for enhanced environment setup 2024-11-07 19:56:04 +00:00
Max Lübke
c094aeaf39 build: Refactor R runtime detection in CMake to ensure required parameters are set 2024-11-07 19:56:04 +00:00
Max Lübke
909308b000 Merge branch 'ml/new-iphreeqc-api' into 'main'
Update to IPhreeqc v3.8.2

See merge request naaice/poet!37
2024-11-07 14:23:58 +01:00
Max Lübke
1f7b9f84cf fix: Update getSolutionNames call to remove unnecessary argument 2024-11-07 14:22:58 +01:00
Max Lübke
9650e59115 Update subproject commit in ext/iphreeqc 2024-11-07 14:22:51 +01:00
Marco De Lucia
85aeb04bc4 Merge branch 'delucia-readme-patch-68839' into 'main'
Fix: README.md

See merge request naaice/poet!36
2024-09-26 11:47:46 +02:00
Marco De Lucia
0573001758 Update README.md 2024-09-26 11:45:07 +02:00
Marco De Lucia
d603589375 Merge branch 'mdl/qs-rebased' into 'main'
rebased mdl/enable-qs to merge with main

See merge request naaice/poet!34
2024-09-16 13:07:43 +02:00
Max Luebke
57d05f5c76 fix: Corrected log10 calculation in master_iteration_end function 2024-09-16 12:05:19 +02:00
Max Luebke
66fb9e601c feat: use CLI11 as argument parser
feat: improve poet_initializer
2024-09-16 11:57:00 +02:00
Marco De Lucia
faf0ed20c3 fixed damn source_R 2024-09-12 16:15:21 +02:00
Marco De Lucia
8e7c5b1d60 cosmetic fixes in DiffusionInit.cpp 2024-09-12 14:57:11 +02:00
Marco De Lucia
6a8edd02bf fix: removed Time-stamp lines from README and CMake/ 2024-09-12 14:56:42 +02:00
Marco De Lucia
742b0babff fix: removed all Time-stamp lines from src/ 2024-09-12 14:56:09 +02:00
Marco De Lucia
7166cef64e fixing stuff and adding comments 2024-09-12 14:54:05 +02:00
Marco De Lucia
ee40abf68b Fixes in README and poet.cpp 2024-09-12 14:53:58 +02:00
Marco De Lucia
2d4f4021ad Update README.md 2024-09-12 14:51:44 +02:00
Max Lübke
76fc5bc0b4 refactor: Rework deferred R function evaluation
applied commit
fix: Unique pointer behaviour of `global_rt_setup` was messed up
2024-09-12 14:48:05 +02:00
Marco De Lucia
e72272764d fixed initializer. Format is given by extension in the -o argument 2024-09-12 14:42:59 +02:00
Marco De Lucia
5606a718db feat: fast serialization/storage using qs package via --qs flag
rebasing/merging
2024-09-12 14:42:24 +02:00
Marco De Lucia
d0c912e078 cosmetic fixes in DiffusionInit.cpp 2024-09-12 12:37:49 +02:00
Marco De Lucia
2e1ea7f9c5 fix: removed Time-stamp lines from README and CMake/
Solve conflict
2024-09-12 12:37:28 +02:00
Marco De Lucia
4be947e5f2 fix: removed all Time-stamp lines from src/ 2024-09-12 12:36:40 +02:00
Marco De Lucia
c39d40dc45 fixing stuff and adding comments 2024-09-12 12:36:40 +02:00
Marco De Lucia
f15eb084d0 Switched default bench init storage to qs 2024-09-12 12:36:40 +02:00
Marco De Lucia
2e115c865b Fixing rebase conflicts 2024-09-12 12:36:11 +02:00
Marco De Lucia
e7c0f6cc49 Update README.md 2024-09-12 11:40:03 +02:00
Max Lübke
eee1f0d689 refactor: Rework deferred R function evaluation
fix: Unique pointer behaviour of `global_rt_setup` was messed up
2024-09-12 11:40:03 +02:00
Marco De Lucia
d35a9a6d95 fixed initializer. Format is given by extension in the -o argument 2024-09-12 11:40:03 +02:00
Marco De Lucia
4090c0a78f feat: fast serialization/storage using qs package via --qs flag 2024-09-12 11:39:44 +02:00
Max Lübke
1210bdf487 Merge branch 'ml/chore' into 'main'
chore: Update README and cleanup

See merge request naaice/poet!33
2024-08-29 14:26:13 +02:00
Max Lübke
9119504dcb chore: remove preprocessed file from project structure 2024-08-29 14:25:37 +02:00
Max Lübke
23b4182a97 chore: Remove unnecessary code in FindRRuntime.cmake 2024-08-29 14:25:37 +02:00
Max Lübke
ee92c75330 doc: Update R package installation process for AI surrogate 2024-08-29 14:25:37 +02:00
Max Lübke
3d9e6ae13d Merge branch 'ml/fix-dht' into 'main'
fix: Error during DHT usage

See merge request naaice/poet!32
2024-08-29 08:47:45 +02:00
Max Lübke
1f9ffe999f Update subproject commit reference 2024-08-29 08:35:17 +02:00
Max Lübke
e25ebfffdb fix: distribute species names across all processes 2024-08-29 08:35:11 +02:00
hans
b125016dab Fix: merge issues 2024-06-05 16:43:33 +02:00
hans
c2ee1a7f04 Merge branch 'ai-surrogate-v03-temp' into ai_surrogate_merge 2024-06-05 16:02:30 +02:00
hans
df6127fbda Merge branch 'origin/ai-surrogate-v03-temp-mdl' into ai_surrogate_merge 2024-06-05 15:59:00 +02:00
hans
efea0d5c19 fix: reserve vs resize in Worker 2024-06-05 15:54:19 +02:00
hans
692c47781e fix: wp_start_index in Worker 2024-05-31 11:45:19 +02:00