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Author	SHA1	Message	Date
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	c4780fe9af	Update references to .qs2 in README	2024-12-20 09:21:16 +01:00
Marco De Lucia	3d0a9041b5	Update README: qs2 as default output format, gfz.de everywhere	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
Max Lübke	ff7cf31e10	Merge branch 'ml/gitlab-ci' into 'main' ... Refactor CI pipeline by removing the build stage and adjusting test job dependencies See merge request naaice/poet!47	2024-12-20 09:06:18 +01:00
Max Lübke	101f00f452	Refactor CI pipeline by removing the build stage and adjusting test job dependencies	2024-12-20 09:04:30 +01:00
Max Lübke	c0d3485edb	Merge branch 'ml/fix-license' into 'main' ... Revert "No code changes made." See merge request naaice/poet!46	2024-12-20 09:00:27 +01:00
Max Lübke	426429f8a9	Update LICENSE to include updated copyright notice and additional guidelines for program distribution	2024-12-20 08:58:40 +01:00
Max Lübke	6714082646	Revert "No code changes made." ... This reverts commit 8b35513b8824a31c21ab53c27ca2f89ce92ae36c.	2024-12-20 08:57:51 +01:00
Max Lübke	ea0c21c9da	Merge branch 'ml/fix-license' into 'main' ... Fix license parsing error of GitLab? See merge request naaice/poet!45	2024-12-20 08:55:43 +01:00
Max Lübke	8b35513b88	No code changes made.	2024-12-20 08:46:51 +01:00
Max Lübke	9d7fa5457d	Merge branch 'mdl/fgcsbench' into 'main' ... Mdl/fgcsbench See merge request naaice/poet!43	2024-12-13 12:19:57 +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	fbd4739360	Update references to .qs2 in README	2024-12-13 12:14:55 +01:00
Marco De Lucia	ce5db73604	Update README: qs2 as default output format, gfz.de everywhere	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
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