Greetings all,
The reformatting commits I talked about a few days ago are done; I have
been through all of the libraries runmd.F90, force.F90, qm_mm.F90,
sander.F90, and multisander.F90 with a fine-toothed comb. This was to
clarify and add comments as I thought necessary for a person coming to the
code fresh. Please git pull before starting any new work on these sections
of the code.
One thing that I did, which may be controversial, was to remove sections of
actual code masked by comments. In most cases these were clearly the
detritus of debugging efforts long past, but if anyone objects I can run
back through and replace the lines.
Thanks,
Dave
On Thu, Oct 27, 2016 at 5:42 PM, David Cerutti <dscerutti.gmail.com> wrote:
> Just a heads-up here, please let me know if you have major uncommitted
> edits to any of the force, runmd, or sander libraries in the sander
> program. As part of an effort to add an Ligand Field MM module, I will
> first be making changes to each of these libraries to enforce certain
> coding conventions and improve the comments for accessibility to future
> developers. These commits will take place atomically, apart from other
> edits that I will perform for the actual LFMM module, and will not change
> any of the functionality of the libraries.
>
> By the Devs conference I hope to create a "How To Get into Sander"
> tutorial for persons wishing to contribute to the package, aimed at
> reducing the startup time and encouraging continued development of this
> sandbox code in a responsible and sustainable way. The formatting and
> commentary edits will help me to immerse in the content, make my own
> contributions, and build the tutorial path.
>
> Thanks,
>
> Dave
>
>
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Received on Sun Oct 30 2016 - 17:30:03 PDT
