Commit Graph

108 Commits

Author SHA1 Message Date
Nicolas Kruse 82db3fc3b8 version bumped to 1.1.4 2025-11-26 15:10:06 +01:00
Nicolas Kruse b465b91323 Minor updates for tests and benchmarks as well as minor code style adjustments 2025-11-26 15:08:40 +01:00
Nicolas Kruse f8fb198b0b Improved performance by replacing root implementation of scipy by a custom one - optimized for the application. Benchmarks jumped from a few times slower than cantera to very slightly faster than cantera. 2025-11-26 15:07:15 +01:00
Nicolas Kruse 6f8eb2914c extended the test_results_cantera 2025-11-17 13:51:00 +01:00
Nicolas Kruse 681e356451 replaced old "active_species" property in the examples by "species" 2025-11-17 13:51:00 +01:00
Nicolas Kruse 9bdf350c17 switched null_space implementation from scipy to using numpys svd 2025-11-17 13:51:00 +01:00
Nicolas 7df98dda7b Zenodo DOI in citation.cff set 2025-09-04 09:02:55 +02:00
Nicolas 21c6f3cb72 SOC examples updated to use new slicing 2025-09-03 15:57:55 +02:00
Nicolas 50b32bfa8f Numpy-like array slicing for fluids and elements added; get_n() function added for fluids and elements 2025-09-03 15:57:55 +02:00
Nicolas a04340dd7f Version changed to 1.1.3; config files updated 2025-09-03 15:57:55 +02:00
Nicolas fe0fd8ec21 new lines at the ends of the benchmark scripts added 2025-09-03 15:57:55 +02:00
Nicolas b8baa14c84 benchmark scripts added 2025-09-03 15:57:55 +02:00
Nicolas cc1057a99b CD for pypi: environment added 2025-07-28 17:11:23 +02:00
Nicolas e2a6541119 Docs: Link to repo added 2025-07-28 17:11:23 +02:00
Nicolas dd86a1a83a doc path renamed to "api" 2025-07-28 17:11:23 +02:00
Nicolas Kruse 38709c03ac md_to_code.py updated to handle print functions in the last line 2025-07-28 15:06:32 +02:00
Nicolas Kruse 77b80a31fc sofc example fixes of the extension 2025-07-28 15:06:32 +02:00
Nicolas 138e33e5b6 sofc example extended 2025-07-28 15:06:32 +02:00
Nicolas 14bd6605bc switched docs deployment method 2025-07-28 15:06:32 +02:00
Nicolas eb171fd424 fix in SOEC example 2025-07-28 15:06:32 +02:00
Nicolas Kruse 0e01d5e7be readme updated 2025-07-21 11:39:51 +02:00
Nicolas Kruse b277f91f5f example text improved 2025-07-21 11:39:51 +02:00
Nicolas Kruse c966aa74f3 unified nomenclature in methane example 2025-07-21 11:39:51 +02:00
Nicolas f97c8a2697 py.typed file added indication package uses type annotations 2025-07-21 11:39:51 +02:00
Nicolas Kruse 10ade221e0 fix in example description 2025-07-21 11:39:51 +02:00
Nicolas Kruse 8627b59e0b comment lines in example removed 2025-07-21 11:39:51 +02:00
Nicolas Kruse 73627613ac Example description fixed 2025-07-03 15:11:17 +02:00
Nicolas Kruse ac026600c5 example added 2025-07-03 15:11:17 +02:00
Nicolas Kruse 6f3ce50999 figures in sulfur example improved 2025-07-03 15:11:17 +02:00
Nicolas Kruse e4b33b344b Minor README fixes 2025-07-03 15:11:17 +02:00
Nicolas Kruse 7a4c705fe1 carbon example extended 2025-07-03 15:11:17 +02:00
Nicolas Kruse e2e09a6ea4 sofc example fixed and soec sample added 2025-06-25 11:15:27 +02:00
Nicolas Kruse df56d0ad37 citation.cff acording to cffconvert is fixed; validation to ci added
CI: missing "jobs:" readded

CITATION.cff fixed and CI updated for CITATION.cff validation
2025-06-24 16:37:43 +02:00
Nicolas Kruse 9a4c6351bb citation file updated 2025-06-24 15:14:41 +02:00
Nicolas Kruse 5d5b8ec722 codestyle for test fixed 2025-06-24 15:14:41 +02:00
Nicolas Kruse 2bf7e21e73 test with cantera reference updated 2025-06-24 15:14:41 +02:00
Nicolas Kruse 762ff6929d test added for non-equilibrium cases 2025-06-24 15:14:41 +02:00
Nicolas Kruse 0854d28e92 Time hints added in main 2025-06-24 15:14:41 +02:00
Nicolas Kruse 5172d3721e added weighting coefficient for better stability 2025-06-24 15:14:41 +02:00
Nicolas Kruse fe5bf70d83 version changed to v1.1.2 2025-06-24 15:14:41 +02:00
Nicolas Kruse 63b1808341 Solver updated with start value estimation and log-error for elemental species balance 2025-06-24 15:14:41 +02:00
Nicolas Kruse a5f806aa31 For equilibrium_eq start values are estimated now by calculating the maximum possible amount for each species based on the elements 2025-06-24 15:14:41 +02:00
Nicolas Kruse 802aa68a25 equilibrium solvers moved to separate file "_solver.py" 2025-06-24 15:14:41 +02:00
Nicolas Kruse 973aedf058 cff-version in CITATION.cff fixed 2025-06-18 14:41:41 +02:00
Nicolas Kruse d627b87df6 added mypy conformity for numpy 2.3.0 2025-06-18 14:18:46 +02:00
Nicolas Kruse 2f5cad3d05 Docs and doc generation updated for the restructuring 2025-06-18 08:48:51 +02:00
Nicolas Kruse 93f6d88cd4 docstring fixed for species function 2025-06-18 00:46:31 +02:00
Nicolas Kruse fd94cb2f24 __iter__ function for elements and fluid updated to pass mypy type check. test added 2025-06-18 00:19:19 +02:00
Nicolas Kruse 1e54392d54 type references fixed 2025-06-17 23:31:17 +02:00
Nicolas Kruse 944aeb3546 citation.cff updated 2025-06-17 23:22:23 +02:00