globus-labs / mof-generation-at-scale

Create new MOFs by combining generative AI and simulation on HPC
MIT License
18 stars 5 forks source link

Add files via upload #130

Closed williamyxl closed 7 months ago

williamyxl commented 7 months ago

fixed poscar file format with sorted atoms in ASE, ready for visualization

coveralls commented 7 months ago

Pull Request Test Coverage Report for Build 8699190578

Warning: This coverage report may be inaccurate.

This pull request's base commit is no longer the HEAD commit of its target branch. This means it includes changes from outside the original pull request, including, potentially, unrelated coverage changes.

Details


Totals Coverage Status
Change from base Build 8699137567: 0.0%
Covered Lines: 4452
Relevant Lines: 9632

💛 - Coveralls