max/poet
1
0
Fork 0
mirror of https://git.gfz-potsdam.de/naaice/poet.git synced 2025-12-16 12:54:50 +01:00
Code Issues Packages Projects Releases Wiki Activity
417 Commits 14 Branches 10 Tags
Commit Graph

417 Commits

This Branch
This Branch
All Branches
Author SHA1 Message Date
Max Lübke
eb09cd2725 feat: add with_h0_o0 and with_redox parameters to ChemistryModule and related classes 2024-12-20 09:21:18 +01:00
Max Luebke
ca5b83012d feat: add support for redox in PhreeqcMatrix initialization 2024-12-20 09:21:18 +01:00
Max Lübke
172c11dd19 feat: enhance LookupKey with const isnan method and comparison operator 2024-12-20 09:21:18 +01:00
Max Lübke
1403ad3a87 refactor: streamline WorkPackage constructor and improve DHT_Wrapper::fillDHT logic 2024-12-20 09:21:17 +01:00
Max Luebke
96778c1d95 feat: add dht_snaps and dht_out_dir parameters to ChemistryModule and main function 2024-12-20 09:21:17 +01:00
Max Luebke
dd29fce7db fix: initialize includeH0O0 to false in command line options 2024-12-20 09:21:17 +01:00
Max Luebke
9553225d35 feat: make output of H(0) and O(0) optional 2024-12-20 09:21:17 +01:00
Max Lübke
2bbe09935b feat: add has_het_ids parameter to DHT initialization and related functions 2024-12-20 09:21:17 +01:00
Max Lübke
201613c551 fix: use const reference for to_calc in InterpolationModule to improve performance 2024-12-20 09:21:17 +01:00
Max Lübke
00ffe84b02 fix: remove double initialization of dht_enabled in ChemistryModule 2024-12-20 09:21:17 +01:00
Max Lübke
7bb103fade feat: implement caching for interpolation calculations and add NaN handling 2024-12-20 09:21:16 +01:00
Max Luebke
6118fbc786 [wip] fix: add base_totals to SurrogateSetup 2024-12-20 09:21:16 +01:00
Marco De Lucia
20529d6ca7 reverting <format> since gcc < 13 does not support it 2024-12-20 09:21:16 +01:00
Marco De Lucia
abcfc637b6 Update references to .qs2 in README 2024-12-20 09:21:16 +01:00
Marco De Lucia
c3bba9472e Update README: qs2 as default output format, gfz.de everywhere 2024-12-20 09:21:16 +01:00
Marco De Lucia
cc6f83b49a Less and more informative stdout messages 2024-12-20 09:21:16 +01:00
Marco De Lucia
ca93df57bd Added qs2 as new default format 2024-12-20 09:21:15 +01:00
Hannes Martin Signer
59e6f12871 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
3d34b953b2 Update 2 files 
- /docs/POET_scheme.svg
- /docs/POET.drawio
 2024-12-10 15:02:45 +01:00
Max Lübke
8c0b23648f 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
fcc6239bec update POET scheme 2024-12-10 11:14:01 +01:00
Max Lübke
8035a2e9c1 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
c6fab494ce refactor: Replace PhreeqcEngine instances with PhreeqcRunner for improved chemistry processing 2024-12-04 10:34:13 +00:00
Max Lübke
c5c0994485 build: Enhance Dockerfile for improved environment setup and dependency management 2024-12-04 08:44:55 +00:00
Max Lübke
6443e321f8 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
851e7734f9 build: Update Dockerfile and devcontainer.json for enhanced environment setup 2024-11-07 19:56:04 +00:00
Max Lübke
e79988c7fa build: Refactor R runtime detection in CMake to ensure required parameters are set 2024-11-07 19:56:04 +00:00
Max Lübke
509b4ed3c7 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
70115c17a5 fix: Update getSolutionNames call to remove unnecessary argument 2024-11-07 14:22:58 +01:00
Max Lübke
ac116e413b Update subproject commit in ext/iphreeqc 2024-11-07 14:22:51 +01:00
Marco De Lucia
c55d0c3943 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
e0cea3aded Update README.md 2024-09-26 11:45:07 +02:00
Marco De Lucia
fb2ce83ee3 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
ef427513f5 fix: Corrected log10 calculation in master_iteration_end function 2024-09-16 12:05:19 +02:00
Max Luebke
aeb6587399 feat: use CLI11 as argument parser 
feat: improve poet_initializer
 2024-09-16 11:57:00 +02:00
Marco De Lucia
24c5fb66e8 fixed damn source_R 2024-09-12 16:15:21 +02:00
Marco De Lucia
0f81c54974 cosmetic fixes in DiffusionInit.cpp 2024-09-12 14:57:11 +02:00
Marco De Lucia
b52d1942f1 fix: removed Time-stamp lines from README and CMake/ 2024-09-12 14:56:42 +02:00
Marco De Lucia
c1e5e97cf1 fix: removed all Time-stamp lines from src/ 2024-09-12 14:56:09 +02:00
Marco De Lucia
666ba31884 fixing stuff and adding comments 2024-09-12 14:54:05 +02:00
Marco De Lucia
47371d8f47 Fixes in README and poet.cpp 2024-09-12 14:53:58 +02:00
Marco De Lucia
22ef6f22fb Update README.md 2024-09-12 14:51:44 +02:00
Max Lübke
ec241be873 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
42089f2282 fixed initializer. Format is given by extension in the -o argument 2024-09-12 14:42:59 +02:00
Marco De Lucia
7f761e802f feat: fast serialization/storage using qs package via --qs flag 
rebasing/merging
 2024-09-12 14:42:24 +02:00
Marco De Lucia
214f9f87b7 cosmetic fixes in DiffusionInit.cpp 2024-09-12 12:37:49 +02:00
Marco De Lucia
6eab2a72eb fix: removed Time-stamp lines from README and CMake/ 
Solve conflict
 2024-09-12 12:37:28 +02:00
Marco De Lucia
4e73e9a3a6 fix: removed all Time-stamp lines from src/ 2024-09-12 12:36:40 +02:00
Marco De Lucia
e91eefe973 fixing stuff and adding comments 2024-09-12 12:36:40 +02:00
Marco De Lucia
757dd46275 Switched default bench init storage to qs 2024-09-12 12:36:40 +02:00