"How to differentiate collective variables in free energy codes: ..."

Toni Giorgino (2018)

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DOI: 10.1016/J.CPC.2018.02.017

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type: Journal Article

metadata version: 2020-02-21

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Toni Giorgino:
How to differentiate collective variables in free energy codes: Computer-algebra code generation and automatic differentiation. Comput. Phys. Commun. 228: 258-263 (2018)

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