/tools/sella
sella
zadorlab/sella
summary
Sella is a Python software package designed for saddle point optimization and minimization of atomic systems. It facilitates the identification of first order saddle points, which is crucial in molecular simulations and understanding reaction pathways.
description
A Python software package for saddle point optimization and minimization of atomic systems.
topics
chemistrygeometry-optimizationcomputational-chemistrypythonsaddle-pointworkflows
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