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509 Commits 14 Branches 10 Tags
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72 Commits

Author SHA1 Message Date
rastogi
1ef61cad33 Separate packing of work package outputs into MPI buffer and add worker-side control flush logic 2025-11-17 19:25:02 +01:00
rastogi
f4e846d6dc Enable DHT time measurement 2025-11-06 11:49:10 +01:00
rastogi
3fb6ca5209 Enabled time measurement 2025-10-30 16:38:06 +01:00
rastogi
37c6227580 Added time measurements 2025-10-30 15:43:34 +01:00
rastogi
dda78c7b17 feat: control_flags are sent via MasterSenPkgs() and not bcast before 2025-10-28 14:40:35 +01:00
rastogi
c4d1682b3a Added Control Module 2025-10-24 13:01:41 +02:00
rastogi
13e666718b Wp data not being shuffled correctly. 2025-10-23 23:16:58 +02:00
rastogi
c7c6303d7c migrate: separate control logic from ChemistryModule into dedicated ControlModule 2025-10-19 11:49:52 +02:00
rastogi
be07217aac Modified IO functions 2025-10-17 15:37:49 +02:00
rastogi
dcdf510125 Added rrmse threshold values 2025-10-15 11:32:29 +02:00
rastogi
1944b0fc76 Control component with minimum features 2025-10-15 10:15:21 +02:00
rastogi
7467bbe50a feat(control): dynamic prototype, penalty_iteration, error while disabling surrogate fixed 2025-10-02 13:20:53 +02:00
rastogi
c10d35fabe rollback implemented, triggered when MAPE exceeds epsilon 2025-09-12 09:47:00 +02:00
rastogi
0cc0c9cdf6 computeStats not working correctly, Unit Tests added 2025-09-01 12:39:01 +02:00
Max Lübke
12d39ecb9b feat: Implement checkpointing 
Co-authored-by: hmars-t <hmars-t@users.noreply.github.com>
 2025-08-01 11:27:25 +02:00
rastogi
3002a798c7 Initial commit 2025-08-01 11:09:59 +02:00
Max Lübke
aa2cb259a5 fix: remove duplicate flag for saving output as .qs file in parseInitValues 2024-12-20 10:05:49 +01:00
Max Lübke
c6910eb96e Merge branch 'main' into 'ml/fix-interpolation' 
# Conflicts:
#   src/initializer.cpp
#   src/poet.cpp
#   src/poet.hpp.in
 2024-12-20 09:22:55 +01:00
Max Luebke
6a889b5364 feat: add dht_snaps and dht_out_dir parameters to ChemistryModule and main function 2024-12-20 09:21:17 +01:00
Max Lübke
cd53f43bd2 feat: add has_het_ids parameter to DHT initialization and related functions 2024-12-20 09:21:17 +01:00
Max Luebke
07ac2bfd8d [wip] fix: add base_totals to SurrogateSetup 2024-12-20 09:21:16 +01:00
Marco De Lucia
3a164ed716 reverting <format> since gcc < 13 does not support it 2024-12-20 09:21:16 +01:00
Marco De Lucia
54d6b6bbf2 Less and more informative stdout messages 2024-12-20 09:21:16 +01:00
Marco De Lucia
5493cf88a9 Added qs2 as new default format 2024-12-20 09:21:15 +01:00
Marco De Lucia
f1b166145e reverting <format> since gcc < 13 does not support it 2024-12-13 12:14:55 +01:00
Marco De Lucia
a714211560 Less and more informative stdout messages 2024-12-13 12:14:55 +01:00
Marco De Lucia
18725bf87d Added qs2 as new default format 2024-12-13 12:14:55 +01:00
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
742b0babff fix: removed all Time-stamp lines from src/ 2024-09-12 14:56:09 +02:00
Marco De Lucia
ee40abf68b Fixes in README and poet.cpp 2024-09-12 14:53:58 +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
4be947e5f2 fix: removed all Time-stamp lines from src/ 2024-09-12 12:36:40 +02:00
Marco De Lucia
2e115c865b Fixing rebase conflicts 2024-09-12 12:36:11 +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
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
df6127fbda Merge branch 'origin/ai-surrogate-v03-temp-mdl' into ai_surrogate_merge 2024-06-05 15:59:00 +02:00
Marco De Lucia
7f522157d1 MDL: AI model seems correctly updated/stored 2024-05-30 13:37:28 +02:00
hans
4b07880a06 docs: updated docs for v03 2024-05-30 13:20:50 +02:00
Marco De Lucia
d00369def7 MDL: some fixes and some more output to make AI run 2024-05-30 11:32:08 +02:00
hans
99d0b8c70d feat: Add AI Surrogate functions to V.03 2024-05-27 15:22:29 +02:00
hans
a55a7ae095 feat: Add AI Surrogate functions to V.03 2024-05-27 09:09:01 +02:00
Max Lübke
2b69da0c5d BREAKING CHANGE: Enable Surface/Exchange using new API of PhreeqcEngine 2024-05-06 10:01:57 +00:00
Max Lübke
b3fd383674 Fix diffusion and chem field update order in RunMasterLoop 2024-04-10 10:24:00 +00:00
Max Lübke
32f7f5af70 Refactor process to output as DataFrames 2024-04-10 10:24:00 +00:00