Tyler Martin

> I realized that you don't have "pandoc" in your environment. Probably you have an old and/or broken version of Pandoc installed locally? This ended up being the answer! I...

Version 1.19.2 ``` $ pandoc --version; pandoc -f markdown -t rst pandoc 1.19.2 Compiled with pandoc-types 1.17.0.4, texmath 0.9, skylighting 0.1.1.2 Default user data directory: /Users/tbm/.pandoc Copyright (C) 2006-2016 John...

Okay, so I've mostly figured out the issue but it's a little tedious. BLUF: `tiled` should just use the byte string returned by `xarray.Dataset.to_netcdf()`. The xarray/scipy netcdf writer combo is...

# Update I think the problem is 'simpler' than I initially thought. After taking a look through `tiled.serialization.xarray`, I think the issue is in the use of `xarray.Dataset.to_dataframe`. From the...

Hmmmm. I was more or less thinking of doing the same (manually copy tutorial examples from the Jupyter notebooks). From a maintainability point of view, this is obviously a not...

> and I'm finding pyPRISM.trajectory.Debyer module in pyPRISM, can I use the determined trajectories of MD, and let pyPRISM do the calculations? Absolutely! You should just keep in mind that,...

So, the difference between the Flory-Huggins chi and the effective chi that [pyPRISM calculates](https://pyprism.readthedocs.io/en/latest/api/pyPRISM.calculate.chi.html) is that the PRISM chi includes entropic and enthalpic effects and the Flory-Huggins chi only includes...

After some thinking, it may be worth just implementing this for the two-component (one infinitely dilute) case. This could be achieved by creating a new PRISM object (PRISM_2CompDilute?) which assumes...

See pull request #10 for the current state of development of molecular closures