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updated env matching examples #64

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merged 20 commits into from
Apr 21, 2023
Merged

updated env matching examples #64

merged 20 commits into from
Apr 21, 2023

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melodyyzh
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@melodyyzh melodyyzh commented Mar 9, 2023 •
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Description

Updated environment matching examples based on a few recent API changes.

Resolves: #58

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@melodyyzh
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The notebook ran except for the registration =True block, it has been runing for longger than reasonable time and I could not figure out what was wrong.
Also, I am not sure what changes I need to make in the notebook for the Ragged array PR #1064.

@melodyyzh melodyyzh requested a review from tommy-waltmann March 9, 2023 19:57
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Let's start by changing the base branch from master to next. We can make the other necessary changes after that.

@melodyyzh melodyyzh changed the base branch from master to next March 9, 2023 23:32
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Alright, just changed the base branch

tommy-waltmann
tommy-waltmann reviewed Mar 13, 2023
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examples/Identifying Local Environments in a Complex Crystal.ipynb
@@ -24,7 +24,9 @@
"cell_type": "code",
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@tommy-waltmann tommy-waltmann Mar 13, 2023 •
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Line #11.        env_neighbors=neighbor,

The cluster_neighbors keyword argument should come before the env_neighbors argument. There is one other place in this PR where the same mistake occurs.


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@melodyyzh melodyyzh marked this pull request as ready for review March 30, 2023 22:31
@melodyyzh melodyyzh requested a review from a team as a code owner March 30, 2023 22:31
tommy-waltmann
tommy-waltmann approved these changes Mar 31, 2023
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Looks good, great job @melodyyzh!

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Thanks for your help!

tommy-waltmann
tommy-waltmann requested changes Apr 14, 2023
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It appears that I prematurely approved this PR. The notebook "Identifying Local Environments in a Complex Crystal" is in good shape, but the EnvironmentCluster module intro notebook still needs to be updated.

tommy-waltmann
tommy-waltmann approved these changes Apr 21, 2023
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This PR looks good. It only fails the Nematic example, which is being fixed on #68

@tommy-waltmann tommy-waltmann merged commit 993844c into next Apr 21, 2023
@tommy-waltmann tommy-waltmann deleted the env-matching-egs branch April 21, 2023 17:15
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@tommy-waltmann tommy-waltmann tommy-waltmann approved these changes

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Update Environment Matching Examples
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@melodyyzh @tommy-waltmann