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• W2085340093 abstract "Details of the implementation, user interface and file formats of the YASP molecular dynamics program (version 3.0) are described. Version 3.0 has been extensively rewritten with respect to earlier versions. The features now include Coulombic interactions, reaction field approximation, external forces, position restraining, fully vectorised treatment of bond constraints, constraint contributions to the pressure, efficient and well-vectorised evaluation of bonded and nonbonded interactions." @default.
• W2085340093 created "2016-06-24" @default.
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• W2085340093 date "1993-12-01" @default.
• W2085340093 modified "2023-09-25" @default.
• W2085340093 title "YASP: A molecular simulation package" @default.
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• W2085340093 doi "https://doi.org/10.1016/0010-4655(93)90144-2" @default.
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