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@Bin-Cao Bin-Cao released this 17 Aug 08:23
· 2 commits to main since this release

The source code of the stable PyXplore package (version 2026.8.17).

Compared to version 2026.7.5, it includes the following updates:

  • Added New Feature: Structure Relaxation
  • The code will automatically pre-optimize the input structure. It is recommended to perform this step first to obtain a more reasonable initial structure before proceeding with subsequent operations.
  • see : tutorial