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Infra for screening on surface energy in it current state + infra for wulff construction #166

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brookwander opened this issue Sep 20, 2022 · 0 comments
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enhancement New feature or request

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@brookwander
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To be filled:

Use cases:

  1. This will be particularly important for the Pourbaix stability filtering
  2. Also a lot of opportunity to leverage the team here.
  3. Collectively we have a better understanding of all possible use cases, which may have priority, and how they are interrelated

Scope:
What will be done:

  1. Here is thing one

What will not be done:

  1. This is important to prevent scope creep

Execution plan:
This should be detailed, you should consider the infrastructure currently in catlas. What specific functions need changing? Are there several significantly different alternatives to implement? What are some advantages and disadvantages to different approaches
You should also use this section to delegate tasks. Upfront tasks should be outlined, and then you can work with your subteam to delegate them.

Task Owner Due by Dependent?
Content Cell Content Cell Content Cell Content Cell

Consider any problems / risk:
A lot of opportunities to leverage the team here. This upfront planning will allow us to prioritize things better and also prevent wasteful work. One thing I just thought of: don’t we have to perform our own bulk relaxations on OQMD and beyond?

@brookwander brookwander added the enhancement New feature or request label Sep 20, 2022
@brookwander brookwander self-assigned this Sep 21, 2022
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