[x] right column has a list of cofs with the following entries:
label, conventional name, reference structure, optimized structure w/DDEC charges
where the first two come form the csv https://github.com/danieleongari/CoRE-COFs/blob/master/cof-frameworks.csv and the last two link to the breowseable structure (and all the connected calcualtions)
[x] left column for the moment can have only Kh vs PE coloured by void fraction (use the plasma colorbar style, if available in bokeh, to be consistent with Fig 11 of the draft).
Note that there are charged COFs that are not optimized and not even included as a node in aiida, these should simply be listed but without links in the last two columns.
Moreover, I suggest to add 3 very clear buttons to:
[x] link to the GitHub page
[ ] automatically download the zip of the GitHub page Leo: I don't think this is necessary
[x] download the zip with the all optimized structures from the archive (I added it as cifs_cellopt.zip)
ltalirz
commented
5 years ago
If possible, split the entry page in two columns:
label, conventional name, reference structure, optimized structure w/DDEC chargeswhere the first two come form the csv https://github.com/danieleongari/CoRE-COFs/blob/master/cof-frameworks.csv and the last two link to the breowseable structure (and all the connected calcualtions)plasmacolorbar style, if available in bokeh, to be consistent with Fig 11 of the draft).Note that there are charged COFs that are not optimized and not even included as a node in aiida, these should simply be listed but without links in the last two columns.
Moreover, I suggest to add 3 very clear buttons to:
automatically download the zip of the GitHub pageLeo: I don't think this is necessarycifs_cellopt.zip)