A technique for calculating particle systems containing rigid and soft parts (Q889701): Difference between revisions

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+https://doi.org/10.1007/s00466-015-1171-0
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+W830932588
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+Dynamics of clusters of charged particulates in electromagnetic fields
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+Dynamics of charged particulate systems. Modeling, theory and computation
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+Fast parallel algorithms for short-range molecular dynamics
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+A Liouville-operator derived measure-preserving integrator for molecular dynamics simulations in the isothermal–isobaric ensemble
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+RATTLE: A ''velocity'' version of the SHAKE algorithm for molecular dynamics calculations
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+WIGGLE: a new constrained molecular dynamics algorithm in Cartesian coordinates
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+A modified shake algorithm for maintaining rigid bonds in molecular dynamics simulations of large molecules
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+Symplectic numerical integrators in constrained Hamiltonian systems
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+P-SHAKE: a quadratically convergent SHAKE in \(O(n^2)\)
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