__init__(self,
fieldFile,
historyFile,
outputFile,
specialAtoms={})
(Constructor)
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The constructor. Will do the conversion.
- Parameters:
fieldFile (string) - the DL_POLY FIELD file name of the trajectory to convert.
historyFile (string) - the DL_POLY HISTORY file name of the trajectory to convert.
outputFile (string) - the name of MMTK NetCDF trajectory output file.
specialAtoms (dict) - dictionnary of the form {s1 : e1, s2 : e2 ...} where 's1', 's2'
... and 'e1', 'e2' ... are respectively the DL_POLY name and the
symbol of atoms 1, 2 ...
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