Formatting customization for PWInput
#4001
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- Default values set to preserve backwards compatibility
- Preserve indent and max decimal precision
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Great. Thanks. |
janosh
added
enhancement
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Summary
Add optional keyword argument
format_optionsof typedict, which specifiesindent: # of spaces for indentation (defaults to 2)kpoints_crystal_b_indent# of spaces for indentation inK_POINTScard withcrystal_boption (defaults to 1)coord_decimals: # of decimal digits for structure information (atomic position coordinates, lattice vector coordinates; defaults to 6)atomic_mass_decimals: # of decimal digits for atomic mass underATOMIC_SPECIEScard (defaults to 4)kpoints_grid_decimals: # of decimal digits for k-point reciprocal lattice coordinate values inK_POINTScard withcrystal_boption (defaults to 4)as keys. The default values are chosen to maintain the same output format as before the change.
This PR aims to close #4000