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The current implementation DOES NOT follow the convention in ACESchrodinger.jl. A wrapper can be used in ACESchrodinger.jl to integrate the code but a consistent gradient and parameter format should be discussed later in the future.
The text was updated successfully, but these errors were encountered:
The current implementation DOES NOT follow the convention in ACESchrodinger.jl. A wrapper can be used in ACESchrodinger.jl to integrate the code but a consistent gradient and parameter format should be discussed later in the future.
The text was updated successfully, but these errors were encountered: