pymatgen.io.abinit.variable module

Support for Abinit input variables.

class InputVariable(name, value, units='', valperline=3)

Bases: object

An Abinit input variable.

Parameters:

• name – Name of the variable.

• value – Value of the variable.

• units – String specifying one of the units supported by Abinit. Default: atomic units.

• valperline – Number of items printed per line.

property basename

Return the name trimmed of any dataset index.

property dataset

Return the dataset index in string form.

format_list(values, floatdecimal=0)

Format a list of values into a string. The result might be spread among several lines.

static format_list2d(values, floatdecimal=0)

Format a list of lists.

static format_scalar(val, floatdecimal=0)

Format a single numerical value into a string with the appropriate number of decimal.

get_value()

Return the value.

property name

Name of the variable.

property units

Return the units.