File extract_coords_command.h¶
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Defines the Class ExtractCoordsCommand class for extracting molecular coordinates.
Definition (commands/extract_coords_command.h)¶
Detailed Description¶
Le Nhan Pham
2026
This command specifically extracts atomic coordinates from Gaussian output logs and converts them into standard .xyz files. It handles parsing the specific format blocks where coordinates reside.
Includes¶
commands/icommand.h(File icommand.h)