Module bader::io

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Expand description

Handles the File I/O for both the density file and result files. Provides a FileFormat trait to be implemented by modules designed to cover a specific file format of a density file.

Modules

  • cube
    File I/O for the gaussian cube format.
  • output
    Write analysis files.
  • reader
    Custom BufReader.
  • vasp
    File I/O for the VASP file format.

Structs

  • FortranFormat
    Turn a float into fortran “scientific” notation (leading digit is zero).

Enums

  • FileType
    Indicates the available file types of the density file.
  • WriteType
    What type of density to write.

Traits

  • FileFormat
    FileFormat trait. Used for handling input from a file.

Type Aliases