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)memorystringvector