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  • 81e380194a Merge commit '4a6ec6151e2f155dd16dc438023b743fbc77e6ae' Darth Vader 2025-02-18 20:26:38 +00:00
  • 4a6ec6151e Squashed 'database/' changes from 4e898381..ec0212de Darth Vader 2025-02-18 20:26:38 +00:00
  • 142a864147 Merge commit 'ff1bded8415c84af23ef99cbd47c0a9ef7a69a76' Darth Vader 2025-02-18 20:26:35 +00:00
  • 6c58153c18 Merge commit 'ff1bded8415c84af23ef99cbd47c0a9ef7a69a76' Darth Vader 2025-02-18 20:26:35 +00:00
  • ff1bded841 Squashed 'src/' changes from 47bcb44d..0eb2b934 Darth Vader 2025-02-18 20:26:35 +00:00
  • 34fef06d5c Merge commit '3a0f756ff7940772b9fdf5879b7fd0c8e744cbc5' Darth Vader 2025-02-18 20:26:32 +00:00
  • 3a0f756ff7 Squashed 'phreeqc3-doc/' changes from 797e95aa..e7f79ef2 Darth Vader 2025-02-18 20:26:31 +00:00
  • 0eb2b93436 Merge commit '7c05598ee390fee52f2860d8766542a615f08d9d' Darth Vader 2025-02-18 20:25:42 +00:00
  • 7c05598ee3 Squashed 'phreeqcpp/' changes from c81916a..a4886d6 Darth Vader 2025-02-18 20:25:42 +00:00
  • ec0212ded2 removed tabs before eol in stimela.dat. Updated RELEASE.TXT. David Parkhurst 2025-02-12 22:31:30 -07:00
  • e7f79ef241 removed tabs before eol in stimela.dat. Updated RELEASE.TXT. David Parkhurst 2025-02-12 22:31:30 -07:00
  • 3cf80a8adf Added simela.dat-from Peter de Moel. Fixed bug in write_raw/read_raw GasComp, order of options David Parkhurst 2025-02-12 21:48:14 -07:00
  • b0491191e7
         Updated cran artifacts Charlton, Scott R. 2025-01-10 12:23:44 -07:00
  • 47ce8e0adb Merge commit '1680cde7ab23a71e3b514013815ccf08498a0dc8' Darth Vader 2025-01-07 22:28:23 +00:00
  • 1680cde7ab Squashed 'phreeqc3-examples/' changes from 1777f2bc..31517c71 Darth Vader 2025-01-07 22:28:23 +00:00
  • 31517c71c7 Updated output for 3.8.6 release Charlton, Scott R 2025-01-07 15:23:23 -07:00
  • a4109721f5 Merge commit 'bc33cd74844e5f14f8771f6cc85e6e89165ad2e9' Darth Vader 2025-01-07 21:05:42 +00:00
  • bc33cd7484 Squashed 'phreeqc3-doc/' changes from fd438d3e..797e95aa Darth Vader 2025-01-07 21:05:42 +00:00
  • 797e95aadd Updated RELEASE.TXT for 3.8.6 Charlton, Scott R 2025-01-07 14:02:43 -07:00
  • a7e6f6d4c8 Merge commit '3d759f69973bad20c855f53a0a75a3db3b35516a' Darth Vader 2025-01-07 20:00:06 +00:00
  • 3d759f6997 Squashed 'phreeqc3-examples/' changes from 8f9acfc7..1777f2bc Darth Vader 2025-01-07 20:00:06 +00:00
  • 8cb6444f3b Merge commit '48d952740c344516d2d238bc7f1ae41807a0b7d2' Darth Vader 2025-01-07 20:00:03 +00:00
  • 48d952740c Squashed 'database/' changes from bf60c1ca..4e898381 Darth Vader 2025-01-07 20:00:03 +00:00
  • 444ba08cda Merge commit '35f13a0f66449dd0d7f01732a52d2c2078728e2a' Darth Vader 2025-01-07 19:59:58 +00:00
  • 13bd43d71f Merge commit '35f13a0f66449dd0d7f01732a52d2c2078728e2a' Darth Vader 2025-01-07 19:59:58 +00:00
  • 35f13a0f66 Squashed 'src/' changes from b4a1f672..47bcb44d Darth Vader 2025-01-07 19:59:57 +00:00
  • 47bcb44d5e Merge commit '7afa4755116f041a37c52ecdeb716a64033fdd1f' Darth Vader 2025-01-07 19:59:19 +00:00
  • 7afa475511 Squashed 'phreeqcpp/' changes from b948e30..c81916a Darth Vader 2025-01-07 19:59:19 +00:00
  • 4e89838154 Merge branch 'master' into mix_error David Parkhurst 2025-01-04 13:16:42 -07:00
  • 1777f2bc99 Merge branch 'mix_error' of github.com:dlparkhurst/phreeqc3-1 into mix_error David Parkhurst 2025-01-04 13:16:36 -07:00
  • 20d3a9e5e6 Fixed examples to have fewer warnings. Fixed headers of some database files. Changed some output from warnings to comments. David Parkhurst 2025-01-04 13:13:06 -07:00
  • da8a610a66 Fixed examples to have fewer warnings. Fixed headers of some database files. Changed some output from warnings to comments. David Parkhurst 2025-01-04 13:13:06 -07:00
  • 6e727e2f89 Merge branch 'ml/optional-redox' into 'poet' 7-check-phreeqcmatrix-subset-or-removenan Max Lübke 2024-12-18 17:12:08 +01:00
  • 8ec2e55779 feat: Optional redox states of species in solution Max Lübke 2024-12-18 17:12:07 +01:00
  • c6e14a0ce9 Merge branch 'ml/make-H0-O0-optional' into 'poet' Max Lübke 2024-12-18 17:10:49 +01:00
  • 2c8c311934 fix: remove H(0) and O(0) from SolutionWrapper getter/setter Max Luebke 2024-12-16 14:31:59 +01:00
  • 46e166c678 feat: add option to include H(0) and O(0) in PhreeqcMatrix constructor and related functions Max Luebke 2024-12-16 10:22:12 +01:00
  • b389eb39b4 Merge commit '0574a86c4ee8888db3264728889b391638cd3c29' Darth Vader 2024-12-06 16:50:10 +00:00
  • 0574a86c4e Squashed 'phreeqc3-examples/' changes from 09d4a0ba..8f9acfc7 Darth Vader 2024-12-06 16:50:10 +00:00
  • 584bb5a66f Merge commit 'd3b4c500de84f4dd207eb30b3a612fac16db167d' Darth Vader 2024-12-06 16:50:05 +00:00
  • f6affb8f0e Merge commit 'd3b4c500de84f4dd207eb30b3a612fac16db167d' Darth Vader 2024-12-06 16:50:05 +00:00
  • d3b4c500de Squashed 'src/' changes from 51eedbc2..b4a1f672 Darth Vader 2024-12-06 16:50:05 +00:00
  • b4a1f672db Merge commit '3c8e294fd35563abbf53316d100d9f900e2b5b5a' Darth Vader 2024-12-06 16:49:25 +00:00
  • 3c8e294fd3 Squashed 'phreeqcpp/' changes from c369020..b948e30 Darth Vader 2024-12-06 16:49:25 +00:00
  • c5e17364a0 Merge commit '47a34ca634047faf645ba7302fee4f6de934dcfd' Darth Vader 2024-12-06 00:27:57 +00:00
  • 47a34ca634 Squashed 'database/' changes from 1a221cd7..bf60c1ca Darth Vader 2024-12-06 00:27:57 +00:00
  • f9d9549bf3 Merge commit 'fc1d6ef789171ce6feef8a7ad5fe0ce298a2a4d9' Darth Vader 2024-12-06 00:27:54 +00:00
  • 7e74e00df1 Merge commit 'fc1d6ef789171ce6feef8a7ad5fe0ce298a2a4d9' Darth Vader 2024-12-06 00:27:54 +00:00
  • fc1d6ef789 Squashed 'examples/com/' changes from af8d7af7..a0ea2708 Darth Vader 2024-12-06 00:27:54 +00:00
  • bc21c20a34 Merge commit '3e3c06308338cfdb1eda420553ff9b6058a95643' Darth Vader 2024-12-06 00:27:53 +00:00
  • 50b5cfaf1f Merge commit '3e3c06308338cfdb1eda420553ff9b6058a95643' Darth Vader 2024-12-06 00:27:53 +00:00
  • 3e3c063083 Squashed 'src/' changes from 7bae85a3..51eedbc2 Darth Vader 2024-12-06 00:27:53 +00:00
  • 8f9acfc77c Updated cmake_minimum_required and fixed surf_error test Charlton, Scott R 2024-12-05 16:52:03 -07:00
  • 7d11ec3bc5
         Merge pull request #66 from mwtoews/codespell Charlton, Scott R. 2024-12-05 16:34:32 -07:00
  • e70be6388f Merge branch 'ml/standalone-header' into 'poet' Max Lübke 2024-12-05 19:13:45 +01:00
  • 552348b76e Merge branch 'ml/standalone-header' into 'poet' Max Lübke 2024-12-05 19:11:33 +01:00
  • 2cdfad0e9f refactor: reorganize includes and forward declarations in PhreeqcKnobs and PhreeqcMatrix Max Luebke 2024-12-05 18:09:24 +00:00
  • bdaea707ab Merge branch 'ml/add_ignore_list_to_runner' into 'poet' Max Lübke 2024-12-04 10:08:14 +01:00
  • 38268b4aad feat: add support for ignoring specified cells in simulation run Max Lübke 2024-12-04 09:06:40 +00:00
  • bf6dac4c3f Merge branch '5-bump-to-upstream-version-3-8-5' into 'poet' v0.3 Max Lübke 2024-12-04 09:14:19 +01:00
  • 163bb5ef7b fix: variable names in transport.cpp Max Lübke 2024-12-04 08:09:52 +00:00
  • 52f61f6db0 test: update PhreeqcEngine tests to skip Charge, H(0), and O(0) values Max Lübke 2024-12-04 07:43:25 +00:00
  • 486fc6d3cc bump version to 3.8.5 in CMakeLists.txt Max Lübke 2024-12-04 07:45:03 +00:00
  • 088e15b2c1 Merge tag 'v3.8.5' into 5-bump-to-upstream-version-3-8-5 Max Lübke 2024-12-04 08:05:51 +00:00
  • 31d0cfa4cb bump version to 3.8.5 in CMakeLists.txt Max Lübke 2024-12-04 07:45:03 +00:00
  • 9d2b6f6ff3 test: update PhreeqcEngine tests to skip Charge, H(0), and O(0) values Max Lübke 2024-12-04 07:43:25 +00:00
  • ebd60a3f59 refactor: remove unused initial_solutions_poet method and clean up includes Max Lübke 2024-12-04 07:30:53 +00:00
  • c956228ebd feat: add golemrunner executable and link with IPhreeqcPOET Max Lübke 2024-12-03 09:33:18 +00:00
  • 4115cbdce9 add dolo.pqi Marco De Lucia 2024-12-03 09:55:15 +01:00
  • 20341c9b72 Fixed commit Marco De Lucia 2024-12-02 18:20:02 +01:00
  • 1adcfb90ea feat: integrate PhreeqcKnobs into PhreeqcMatrix; add getKnobs method and update Engine initialization Max Lübke 2024-12-03 08:07:15 +00:00
  • 1714132b49 feat: add PhreeqcKnobs class for managing knob parameters; update CMakeLists.txt and add tests Max Lübke 2024-12-03 07:48:52 +00:00
  • 288854eb8a refactor: remove unused includes from PhreeqcMatrix.hpp and Phreeqc.h Max Lübke 2024-12-03 06:53:14 +00:00
  • 54b765ea11 feat: add PhreeqcRunner class and integrate with PhreeqcMatrix; refactor constructors and update CMakeLists.txt Max Lübke 2024-11-22 13:56:27 +00:00
  • 7eeac0fba9 refactor: reorganize CMakeLists.txt to define source files and integrate testing Max Lübke 2024-11-20 08:31:27 +00:00
  • bc1074e2e6 build: add devcontainer.json + Dockerfile Max Lübke 2024-11-20 08:54:04 +01:00
  • 724cdcab0a refactor: add default destructor for PhreeqcMatrix class Max Lübke 2024-11-08 12:46:59 +01:00
  • 58335f0a17 refactor: replace preprocessor constants by constexpr for type-safety and other problems Max Lübke 2024-11-07 14:07:33 +01:00
  • df03d2bf4c refactor: change ESSENTIALS array type to const char* for better backward compatibility with gcc 11 Max Lübke 2024-11-07 13:41:34 +01:00
  • f6f661e73f Update CMakeLists.txt to reflect version 3.8.2 Marco De Lucia 2024-11-06 11:29:38 +01:00
  • 5146f02120 chore: remove unused app directory Max Lübke 2024-10-23 13:45:52 +02:00
  • 5995f27b04 feat: add test for negative time step Max Lübke 2024-10-23 13:06:32 +02:00
  • 576f332904 test: Add PhreeqcEngine tests Max Lübke 2024-10-23 13:04:42 +02:00
  • 901f15f257 feat: add function to query wether a cell id exists Max Lübke 2024-10-23 11:06:33 +02:00
  • 0e7dead795 build: replace deprecated call to FetchContent_Populate Max Lübke 2024-10-23 10:40:30 +02:00
  • 990b1d41f2 ci: Use ninja as build system Max Lübke 2024-10-23 10:29:54 +02:00
  • e14797ace2 test: Load databases and scripts during runtime Max Lübke 2024-10-23 10:26:35 +02:00
  • 6961d6f167 feat: add H(0) and O(0) to solution list Max Lübke 2024-10-23 10:01:49 +02:00
  • 5f7350bc38 WIP: fix solution heterogeneity Max Lübke 2024-10-16 14:50:52 +02:00
  • ecba265f2e Improve usability outside POET Max Luebke 2024-09-18 20:25:17 +02:00
  • f8ce35b9b2 refactor: Enable std::map::contains only when cpp >= 20 is defined Max Luebke 2024-09-10 18:08:55 +02:00
  • e0edfb43ea Selfcontained input in app/ipqEngine Marco De Lucia 2024-09-10 17:29:52 +02:00
  • d30a5e044c refactor: Update printVectorsAsTable function in ipqEngine.cpp Max Lübke 2024-09-10 15:18:49 +02:00
  • 6acc15d219 Add 'app' directory from golem branch Max Lübke 2024-09-10 15:08:55 +02:00
  • e36b97d9ae refactor: Update C++ standard to c++20 in IPhreeqcPOET target Max Lübke 2024-09-10 09:11:28 +02:00
  • 1f586f1748 feat: remove header dependency to c++20 features Max Lübke 2024-09-10 09:10:33 +02:00
  • 0bf0826c9b refactor: Comment out unused code in KineticWrapper::names(), leading to doubling of names Max Lübke 2024-08-29 08:25:14 +02:00
  • 254520a3a1 Set C++23 standard for IPhreeqcPOET target Max Luebke 2024-08-26 11:19:58 +02:00
  • d00975a33e fix: Add missing "H" and "O" primaries Max Lübke 2024-05-07 09:52:22 +00:00
  • eb03f3ef81 Update Documentation Max Lübke 2024-05-06 09:50:20 +00:00