connorjward / perplex-cpp Goto Github PK
View Code? Open in Web Editor NEWA C++ wrapper for the thermodynamical code Perple_X.
License: GNU General Public License v3.0
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Feature request: number of moles
It would be really useful to have a function that reports the number of moles for the bulk composition. Currently the only way to achieve this is by summing each composition component which is clunky.
Override == for PhaseName struct
Currently checking if a string matches a phase name is complicated because it must be checked against all 3 name types. Overriding the == operator to compare against all 3 would make things simpler.
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