File create_input.h¶

↰ Parent directory (input_gen)

Header file for Gaussian input file creation from XYZ files.

Definition (`input_gen/create_input.h`)¶

Detailed Description¶

Le Nhan Pham

2025

This header defines the Class CreateInput class and related structures for creating Gaussian input files from XYZ coordinate files.

Includes¶

extraction/gaussian_extractor.h (File gaussian_extractor.h)
memory
string
unordered_set
vector

Classes¶

Enums¶

Enum CalculationType