Avoid repeated Incar.get() calls which slow down vasprun parsing by ~20-50%#4359
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From profiling my
Vaspruninitialisations, I found that one of the main contributions to runtime was repeatedIncar.get()calls:pymatgen/src/pymatgen/io/vasp/inputs.py
Line 847 in 31aa214
This can be slow when called many times because of the
UserDict.get()implementation fromcollections.abcand formatting code. Becauseincar.get("ML_LMFF")was being used in theVasprunparsing loop, this method was called e.g. 1e4 - 1e6+ times in my vasprun parsing. Changing this so thatincar.get("ML_LMFF")is only called once to determine if the vasp run is an ML run, meansincar.getonly gets called ~20 times and reduces the vasprun parsing time by ~20-50% (depending on choices ofparse_dosandparse_projected_eigen).