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search for the crystal with desired local environment #217

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qzhu2017 opened this issue Jun 6, 2023 · 0 comments
Closed

search for the crystal with desired local environment #217

qzhu2017 opened this issue Jun 6, 2023 · 0 comments
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qzhu2017 commented Jun 6, 2023

  1. Define the input local environment
  2. Search for compatible list of wp combinations
  3. For each attempt, update the list
  4. Count the statistics
@qzhu2017 qzhu2017 self-assigned this Jun 6, 2023
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