Skip to content

Latest commit

 

History

History
23 lines (16 loc) · 1012 Bytes

File metadata and controls

23 lines (16 loc) · 1012 Bytes

CHGCAR (cusp.chgcar)

Data types of class ~aiida_cusp.data.VaspChgcarData are used to store the data contained in the VASP calculation output files of type CHGCAR. As those files may grow large a gzip-compressed copy of the file is stored to the AiiDA repository instead of the plain file. Note that this data types is only implemented for convenience to simplify the sharing of CHGCAR contents between calculations. However, you may use the class as you wish but be advised that only the basic methods for accessing the file's contents are implemented as it can be seen in the following.

Implemented Methods and Attributes

aiida_cusp.data.VaspChgcarData.get_content

aiida_cusp.data.VaspChgcarData.write_file

aiida_cusp.data.VaspChgcarData.filepath