Toni Giorgino. How to differentiate collective variables in free energy codes: Computer-algebra code generation and automatic differentiation. Computer Physics Communications, 228:258-263, 2018. [doi]
@article{Giorgino18, title = {How to differentiate collective variables in free energy codes: Computer-algebra code generation and automatic differentiation}, author = {Toni Giorgino}, year = {2018}, doi = {10.1016/j.cpc.2018.02.017}, url = {https://doi.org/10.1016/j.cpc.2018.02.017}, researchr = {https://researchr.org/publication/Giorgino18}, cites = {0}, citedby = {0}, journal = {Computer Physics Communications}, volume = {228}, pages = {258-263}, }