pydseamslib.cyoda.readLammpsTrjreduced

pydseamslib.cyoda.readLammpsTrjreduced#

pydseamslib.cyoda.readLammpsTrjreduced(filename: str, targetFrame: int, typeI: int, isSlice: bool, coordLow: List[float[3]], coordHigh: List[float[3]]) → pydseamslib.cyoda.PointCloudDouble#

A Function that reads in only atoms of the desired type and ignores all atoms which are not in the slice as well.

Parameters:

  • filename (The name of the file that needs to be read)

  • targetFrame (The frame number whose information will be read in)

  • typeI (The type ID of the desired type of atoms)

  • isSlice (This decides whether a slice will be created or not)

  • coordLow (Contains the lower limits of the slice, if a slice is to be created)

  • coordHigh (Contains the upper limits of the slice, if a slice is to be created)

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