pysisyphus
stable
Contents:
1. Overview of pysisyphus
2. Installation
3. Installation via Nix
4. Worked example
5. Coordinate Systems
6. Calculators
7. Minimization
8. Minimization with Microiterations
9. Relaxed Scans
10. Excited State Optimization
11. Chain Of States Methods
12. Transition State Optimization
13. Intrinsic Reaction Coordinate (IRC)
14. Plotting
15. Working with Geometries
16. pysisyphus
pysisyphus
»
Module code
»
pysisyphus.exceptions
Source code for pysisyphus.exceptions
[docs]
class
HEIIsFirstOrLastException
(
Exception
):
pass
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