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University of California, Berkeley
Highlights
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Pinned Loading
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pyscf/pyscf-forge
pyscf/pyscf-forge Publicpyscf-forge is a staging ground for code that may be suitable for pyscf-core
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RateTheory/PVMC
RateTheory/PVMC PublicRepo containing scripts for running PVMC and analyzing results
Python 1
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RateTheory/HVMC
RateTheory/HVMC PublicMethod that utilizes variety-based matrix completion to recover projected Hessian eigenvalues constituting the minimum energy path of a reaction
Python
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finite-size-effects
finite-size-effects PublicRepository for methods used to correct finite-size errors in quantum chemistry calculations with periodic boundary conditions
Python
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