casm.vasp.io.Incar

class casm.vasp.io.Incar(filename, species=None, poscar=None, sort=True)

Bases: object

The INCAR class contains:

tags: a dict of all INCAR settings

All input tags and associated values are stored as key-value pairs in the dicionary called ‘tags’.

Construct an Incar object from ‘filename’

__init__(filename, species=None, poscar=None, sort=True)

Construct an Incar object from ‘filename’

Methods

__init__(filename[, species, poscar, sort])	Construct an Incar object from ‘filename’
read(filename[, species, poscar, sort])	Read an INCAR file
update(species, poscar[, sort])	Update Incar object to reflect Species settings
write(filename)

_check_string_tag(tag, value)

Check that string-valued tags are allowed values

_make_natural_type()

Convert self.tags values from strings into their ‘natural type’ (int, float, etc.)

_verify_tags()

Check that only allowed INCAR tags are in self.tags

read(filename, species=None, poscar=None, sort=True)

Read an INCAR file

update(species, poscar, sort=True)

Update Incar object to reflect Species settings