Marco De Lucia
|
0437670e05
|
Less and more informative stdout messages
|
2024-12-20 09:21:16 +01:00 |
|
Marco De Lucia
|
9f89edd492
|
Added qs2 as new default format
|
2024-12-20 09:21:15 +01:00 |
|
Hannes Martin Signer
|
b29be5fd6d
|
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
|
b19cdef894
|
Update 2 files
- /docs/POET_scheme.svg
- /docs/POET.drawio
|
2024-12-10 15:02:45 +01:00 |
|
Max Lübke
|
b67c1fd36d
|
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
|
2dba14d3bd
|
update POET scheme
|
2024-12-10 11:14:01 +01:00 |
|
Max Lübke
|
5c92a2156f
|
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
|
6c660557fd
|
refactor: Replace PhreeqcEngine instances with PhreeqcRunner for improved chemistry processing
|
2024-12-04 10:34:13 +00:00 |
|
Max Lübke
|
db7a2ad2ce
|
build: Enhance Dockerfile for improved environment setup and dependency management
|
2024-12-04 08:44:55 +00:00 |
|
Max Lübke
|
0d9162fb66
|
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
|
716454e115
|
build: Update Dockerfile and devcontainer.json for enhanced environment setup
|
2024-11-07 19:56:04 +00:00 |
|
Max Lübke
|
287eda880a
|
build: Refactor R runtime detection in CMake to ensure required parameters are set
|
2024-11-07 19:56:04 +00:00 |
|
Max Lübke
|
66098aab40
|
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
|
cdbf344329
|
fix: Update getSolutionNames call to remove unnecessary argument
|
2024-11-07 14:22:58 +01:00 |
|
Max Lübke
|
45ea77ae0f
|
Update subproject commit in ext/iphreeqc
|
2024-11-07 14:22:51 +01:00 |
|
Marco De Lucia
|
eec7123001
|
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
|
6316c43094
|
Update README.md
|
2024-09-26 11:45:07 +02:00 |
|
Marco De Lucia
|
54b54efa0f
|
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
|
c0fe7d2a4e
|
fix: Corrected log10 calculation in master_iteration_end function
|
2024-09-16 12:05:19 +02:00 |
|
Max Luebke
|
0f6ff06c4a
|
feat: use CLI11 as argument parser
feat: improve poet_initializer
|
2024-09-16 11:57:00 +02:00 |
|
Marco De Lucia
|
1e14ba6d69
|
fixed damn source_R
|
2024-09-12 16:15:21 +02:00 |
|
Marco De Lucia
|
91cf9658d2
|
cosmetic fixes in DiffusionInit.cpp
|
2024-09-12 14:57:11 +02:00 |
|
Marco De Lucia
|
deb3d1884d
|
fix: removed Time-stamp lines from README and CMake/
|
2024-09-12 14:56:42 +02:00 |
|
Marco De Lucia
|
63a4918313
|
fix: removed all Time-stamp lines from src/
|
2024-09-12 14:56:09 +02:00 |
|
Marco De Lucia
|
492172c26f
|
fixing stuff and adding comments
|
2024-09-12 14:54:05 +02:00 |
|
Marco De Lucia
|
fc7a78be54
|
Fixes in README and poet.cpp
|
2024-09-12 14:53:58 +02:00 |
|
Marco De Lucia
|
25937ec5fd
|
Update README.md
|
2024-09-12 14:51:44 +02:00 |
|
Max Lübke
|
962f6dbbdd
|
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
|
ddf8e97ebe
|
fixed initializer. Format is given by extension in the -o argument
|
2024-09-12 14:42:59 +02:00 |
|
Marco De Lucia
|
1b9906ddbf
|
feat: fast serialization/storage using qs package via --qs flag
rebasing/merging
|
2024-09-12 14:42:24 +02:00 |
|
Marco De Lucia
|
9090d38f17
|
cosmetic fixes in DiffusionInit.cpp
|
2024-09-12 12:37:49 +02:00 |
|
Marco De Lucia
|
fc98253988
|
fix: removed Time-stamp lines from README and CMake/
Solve conflict
|
2024-09-12 12:37:28 +02:00 |
|
Marco De Lucia
|
80fc755ceb
|
fix: removed all Time-stamp lines from src/
|
2024-09-12 12:36:40 +02:00 |
|
Marco De Lucia
|
23d0ee51d8
|
fixing stuff and adding comments
|
2024-09-12 12:36:40 +02:00 |
|
Marco De Lucia
|
99f2cb5ca0
|
Switched default bench init storage to qs
|
2024-09-12 12:36:40 +02:00 |
|
Marco De Lucia
|
04958194c4
|
Fixing rebase conflicts
|
2024-09-12 12:36:11 +02:00 |
|
Marco De Lucia
|
71b519f7ef
|
Update README.md
|
2024-09-12 11:40:03 +02:00 |
|
Max Lübke
|
9122e51980
|
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
|
fec92ad3d3
|
fixed initializer. Format is given by extension in the -o argument
|
2024-09-12 11:40:03 +02:00 |
|
Marco De Lucia
|
8d0be5ae0d
|
feat: fast serialization/storage using qs package via --qs flag
|
2024-09-12 11:39:44 +02:00 |
|
Max Lübke
|
edf936f3d0
|
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
|
c139c4626f
|
chore: remove preprocessed file from project structure
|
2024-08-29 14:25:37 +02:00 |
|
Max Lübke
|
341f850764
|
chore: Remove unnecessary code in FindRRuntime.cmake
|
2024-08-29 14:25:37 +02:00 |
|
Max Lübke
|
dcd07e4e92
|
doc: Update R package installation process for AI surrogate
|
2024-08-29 14:25:37 +02:00 |
|
Max Lübke
|
29808025d8
|
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
|
45bd7acbe1
|
Update subproject commit reference
|
2024-08-29 08:35:17 +02:00 |
|
Max Lübke
|
cc943371a1
|
fix: distribute species names across all processes
|
2024-08-29 08:35:11 +02:00 |
|
hans
|
a65f4992ae
|
Fix: merge issues
|
2024-06-05 16:43:33 +02:00 |
|
hans
|
31da6843b4
|
Merge branch 'ai-surrogate-v03-temp' into ai_surrogate_merge
|
2024-06-05 16:02:30 +02:00 |
|
hans
|
742ac96406
|
Merge branch 'origin/ai-surrogate-v03-temp-mdl' into ai_surrogate_merge
|
2024-06-05 15:59:00 +02:00 |
|