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ZimmermanGroup / pyGSM

Thermal and photochemical reaction path optimization and discovery
MIT License
50 stars 26 forks source link

Constrained DFT #61

Open joshkamm opened 3 months ago

joshkamm commented 3 months ago

Description

Provide a brief description of the PR's purpose here.

Todos

Notable points that this PR has either accomplished or will accomplish.

Questions

Status

closes #58