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How to only create a graph without a database? #176

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tessavdheiden opened this issue Jun 30, 2023 · 0 comments
Open

How to only create a graph without a database? #176

tessavdheiden opened this issue Jun 30, 2023 · 0 comments

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@tessavdheiden
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tessavdheiden commented Jun 30, 2023

Hey!

What is the minimal example (without running an optimization algorithm)?
Is it correct that we have to implement:

  1. BaseSystem() has to be implemented, which contains the following required methods:
    a. get_potential()
    b. get_mindist()
    c. get_orthogonalize_to_zero_eigenvectors()
    d. get_double_ended_connect()
  2. ConnectManager() that connects the minima.

With the implementation of BaseSystem, I am running into a lot of errors related to Energy and Potential functions,
while the documentation says:
"Note that we use the language “energy landscape” because it’s the language most natural for our fields of physics and chemistry, but most of these tools are equally applicable for working with any smooth scalar function in N dimensions."

Tessa

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