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Home Page: https://mineralscloud.github.io/AbInitioSoftwareBase.jl/
License: MIT License
Provides a common API that shared by some ab initio software
Home Page: https://mineralscloud.github.io/AbInitioSoftwareBase.jl/
License: MIT License
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In this commit I removed all Setter
s because they are hard to join
together. But now if I make them all struct
s, and the parameters I want to set as fields, they I can make them functors & take template
as the sole argument of that functor. Then I can join them because they are only 1 argument functions. You cannot join multiple multi-arg functions.
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In the last commit I move readoutput
from Express.EosFitting
to here, with some change of arguments. That is, move the calc
into the inner layer of the closures, and thus the outer layer which takes the actual file
, etc., can be extended. This is already a generalization. But can more be done?
Maybe I can just change the default parser
from nothing
to identity so that I don't have the check against isnothing
and I can put parser
as the first argument so we can make use of a do
block, just like open
. What about it?
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