scine-readuct-python
ReaDuct allows you to carry out structure optimizations, transition state searches and intrinsic reaction coordinate (IRC) calculations among other things
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4.1.0
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About
Summary
ReaDuct allows you to carry out structure optimizations, transition state searches and intrinsic reaction coordinate (IRC) calculations among other things
Last Updated
Aug 13, 2022 at 15:04
License
BSD-3-Clause
Total Downloads
0
GitHub Repository
https://github.com/qcscine/readuct