Enhance convert2degas2 function and CLI with new options - #22
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…ecycling coefficient options
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Changes:
target_temperature_Kandtarget_recyc_coefas optional parameters to theconvert2degas2function, allowing users to set the target temperature (in Kelvin) and recycling coefficient for simulations. These values are now used in the generated output instead of hardcoded defaults. [1] [2] [3] [4]convert2degas2_cli.py) to accept--target-temperatureand--target-recyc-coefarguments, as well as improved descriptions for all arguments, an example usage in the help text, and a new--output-filenameoption for specifying the output file name.