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Implement standard protocols #139

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danielhollas opened this issue Feb 18, 2023 · 0 comments
Open

Implement standard protocols #139

danielhollas opened this issue Feb 18, 2023 · 0 comments
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feature New feature or enhancement

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@danielhollas
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Currently, user is responsible for setting up the parameters for the calculation. We can provide some sensible defaults, but that is not enough.

We should provide a set of protocols that should cover common use cases. Selecting these protocols should automatically populate all input widgets (besides the basic molecule definition, and maybe number of excited states. The other input widgets should be only enabled for a "Custom workflow" protocol.

Something like this is done in the QeApp, we can take inspiration from there.

Blocked on #56
@danielhollas danielhollas added feature New feature or enhancement blocked labels Feb 18, 2023
@danielhollas danielhollas modified the milestone: alpha-version Feb 18, 2023
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