pymatgen.io.prismatic module

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

class Prismatic(structure: Structure, comment: str = '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() → str[source]

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