pymatgen.io.prismatic module

Write Prismatic (http://prism-em.com/) input files.

class Prismatic(structure, comment='Generated by pymatgen')[source]

Bases: object

Class to write Prismatic (http://prism-em.com/) input files. This is designed for STEM image simulation.

Parameters

  • structure – pymatgen Structure

  • comment (str) – comment

to_string()[source]

Returns: Prismatic XYZ file. This is similar to XYZ format but has specific requirements for extra fields, headers, etc.