pymatgen.io.abinit.variable module

Support for Abinit input variables.

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

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[source]

Return the name trimmed of any dataset index.

property dataset[source]

Return the dataset index in string form.

format_list(values, floatdecimal=0)[source]

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

static format_list2d(values, floatdecimal=0)[source]

Format a list of lists.

static format_scalar(val, floatdecimal=0)[source]

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

get_value()[source]

Return the value.

property name[source]

Name of the variable.

property units[source]

Return the units.