Estimate velocities

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The estimate_velocities keyword is an optional keyword in the input file. It takes 1 logical argument, .true. or .false.. It is used to enable a quadratic interpolation of the velocities from the positions, useful when the velocities in the trajectory file are not reliable (e.g., positions and velocities are not synchronous). See the discussion in tutorial 1 for more details.


Summary for temperature keyword
Required/optional Type Accepted values Default See also
Optional Logical .false./.true. .false. Input file


estimate_velocities = .false.