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molpro / iMolpro

GNU General Public License v3.0
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Create documentation #12

Closed pjknowles closed 10 months ago

pjknowles commented 1 year ago

Create documentation and link to it from the Chooser and menu bar

pjknowles commented 1 year ago

Basic introduction is done, and sjef backends, but maybe more can be added

pjknowles commented 12 months ago

@klauspdoll do you think the documentation is by now adequate, or is there something missing that we need to describe? Most people don't want to read documentation, but if there is something that is not obvious without description - for example sjef backends - we should describe it.

klauspdoll commented 12 months ago

I think it is a bit abstract; maybe one example of the workflow would be good; like : start the program like this, get a structure from here, set up an input like that, run, look at properties

pjknowles commented 12 months ago

It's done, but will need revising (at least updated graphics in example) when #11 is complete.

klauspdoll commented 10 months ago

I think it might be good to have a screenshot here also

https://github.com/molpro/iMolpro/tree/master#imolpro

i.e. where it says

"On launching, you will normally see the Chooser window that allows you to open or create projects. You can have as many open as you want, and each appears in its own independent project window. Each project window has two principal panes: on the left is the job input, either as the actual Molpro input file or via a menu-driven guided input creator; on the right is the job output and/or the three-dimensional molecular structure together with any orbitals or vibrational modes that have been calculated, and an editable three-dimensional model of the input geometry."

one could perhaps shorten the text, and have one or two screenshots.

pjknowles commented 10 months ago

The example images appear in doc/example.md. Rather than making README.md longer, I'll put a link in to doc/example.md.