File create_input_command.h¶
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Defines the Class CreateInputCommand class for generating Gaussian input files.
Definition (commands/create_input_command.h)¶
Detailed Description¶
Le Nhan Pham
2026
The Class CreateInputCommand bridges user-defined calculation parameters via the CLI with the underlying Class CreateInput module. It parses parameters such as functional, basis set, solvent model, and charge/multiplicity to automatically generate ready-to-run .com files from molecular coordinates.
Includes¶
commands/icommand.h(File icommand.h)