Request: further refactor on out-dated functions write_chg_r_1 and those similar #5209
Labels
Input&Output
Suitable for coders without knowing too many DFT details
The Absolute Zero
Reduce the "entropy" of the code to 0
For this function, I have comments in mainly two aspects:
(1) If this is really write a file of charge density, then it should not be used to write other things. Obviously you want this function to write cube file for wavefunction too, so it will be better if you change the name to something like "write_vdata_cube" which means writing the volumetric data to cube file.
(2) the suffix "r_1" is confusing...I can understand the "r" denotes realspace or something relevant, but what about "_1"? If it is merely for distinguishing this function from other similar implementation(s), I will say it cannot be a good idea.
Originally posted by @kirk0830 in #5140 (comment)
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