Represent an atomic action for a specific Calculation type.

Represent all materials calculations.

extension(file)

Get the extension from file. Return an empty String if no extension is found.

load(file)

Load data from file to a Dict.

By now, YAML, JSON, and TOML formats are supported. The format is recognized by the file extension.

of_format(destination, source)

Convert source to the format of destination. Similar to oftype.

parentdir(file)

Get the directory of a file.

The problem of dirname is that it returns an empty string if users do not write "./" in the file path. This will cause an error in tempname.

save(file, data)

Save data to file.

By now, YAML, JSON, and TOML formats are supported. The format is recognized by the file extension.

If data is a Dict, its keys should be Strings so that load can return the same data.