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LBL-EESA / alquimia-dev

Alquimia is an interface that exposes the capabilities of mature geochemistry codes such as [CrunchFlow](http://www.github.com/cisteefel/crunchtope) and [PFLOTRAN](https://bitbucket.org/pflotran/pflotran-dev).
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Add an interface for supporting globally implicit reactive transport. #8

Open jeff-cohere opened 8 years ago

jeff-cohere commented 8 years ago

Currently, Alquimia only supports operator-split coupling between its geochemistry and transport. One of our charges is to craft a generic interface that allows us to set up and solve global implicit reactive transport systems.

jeff-cohere commented 8 years ago

Hey @smolins,

I've pushed a branch called global_implicit where we can do this work. For this task, we both have things to do (me for PFlotran and you for Crunch), so maybe we should work collaboratively in this branch of this repo instead of forks. But I'm flexible either way.

I got rid of the *_wrapper.F90 files since they weren't necessary, so all we have to do is fill the logic for the ComputeJacobianAndResidual subroutines in the PFlotran and Crunch Alquimia modules. If you get a chance, can you take a quick look and see if things make sense?

Thanks!

smolins commented 8 years ago

Looks good. I am ok with it.