Releases: gemshub/GEMS3K
GEMS-225: For GEMS-Reaktoro, isolate TSolMod with replacement of Multi into tsmod4rkt library in GEMS3K
The tsolmod4rkt library is the isolation of TSolMod (with all its subclasses and constructors) into a separate library. Where TSolMod instances are initialized after reading the ipm_dat (and minor parts of dch_dat, dbr_dat) JSON documents sent from GEMSGUI into a truncated variant of MULTI data structure, that only contain arrays used in TSolMod.
Added Python API for using tsolmod4rkt (TSolMod) activity models from Reaktoro (via wrappers on these API methods) or other chemical solver codes, or simply in Python files or Jupyter notebooks.
Changes into main GEMS3K
Implemented DataCH and DataBR API (datach_api.h, datach_api.cpp and datach_formats.cpp). Functions for allocation and reading/writing DATACH and DATABR structures are separated from the TNode class.
Added phase and components names to the initial structure of TSolMod class, and implemented printing of TSolMod structure to JSON and key-value formats for comparing results.
Added subdirectory tsolmod4rkt with the TSolModMulti class to initialize and manage Phase models and the SolModCalc class as c++ API for phase models.
Synchronized the changes from bitbucket about logging files
Merge pull request #36 from gemshub/sdmytrievs-patch-1 Update CMakeLists.txt
Set spdlog in header-only mode, fixed CI and some bugs
What's Changed
- Fixed&debug cmake and CI scripts (using spdlog in header-only mode or lib) by @sdmytrievs in #33
Full Changelog: v4.3.4...v4.3.5
Added spdlog config and other fixes
Merge pull request #31 from sdmytrievs/master Add config file
v4.3.3
Change logging levels
v4.3.2 Added #include <cstring> to avoid compiler error
Add loggin to file
Fix install configuration; added function for setting up logging level and logging to file; fixed VTK out; save Thermofun from standalone.
Using ThermoFun
Fixes for Pitzer model, sync changes from bitbucket.
Pitzer model was tested and benchmarked against Phreeqc.
Synchronized changes from bitbucket.
Changes to use ThermoFun and Spdlog. Not activated in this release.
v4.2.0: Merge pull request #23 from sdmytrievs/master
Synchronize from GEMS3K bitbucket trunk 2 june