This can be useful if you start a simulation with an empty box or if you wish to leave room on one side of the box, e. For triclinic non-orthogonal simulation boxes, if the second dimension of a tilt factor e. If the first dimension is shrink-wrapped, then the shrink wrapping is applied to the tilted box face, to encompass the atoms. These tilted planes are shrink-wrapped around the atoms to determine the x extent of the box. See the Howto triclinic page for a geometric description of triclinic boxes, as defined by LAMMPS, and how to transform these parameters to and from other commonly used triclinic representations.
Version: 7 Jan User Guide 1. Introduction 2. Commands 6. Optional packages 7. Accelerate performance 8. Howto discussions 9. Example scripts Auxiliary tools Errors Programmer Guide 1. Is it possible that the conversion is complaining about unicode?
I know that this is python 3, but nonetheless I've just tried it, but the result is unfortunately the same — Georges Casamatta. Add a comment. Active Oldest Votes. In [24]: from pandas. Improve this answer. Jeff Jeff k 19 19 gold badges silver badges bronze badges. Sign up or log in Sign up using Google. Sign up using Facebook. Sign up using Email and Password.
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