Do write a gradient output file? If so, the filename will end in .grad, and the prefix is determined by WRITER_FILE_LABEL (if set), or else by the name of the output file plus the name of the current molecule.
- Type: boolean
- Default: false
Do write a gradient output file? If so, the filename will end in .grad, and the prefix is determined by WRITER_FILE_LABEL (if set), or else by the name of the output file plus the name of the current molecule.
- Type: boolean
- Default: false