Enum CommandType¶
Defined in File command_system.h
Enum Documentation¶
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enum class CommandType¶
Enumeration of available command types in Gaussian Extractor.
This enumeration defines all supported commands that can be executed by the Gaussian Extractor application. Each command type corresponds to a specific functionality and has its own parameter requirements and execution flow.
Values:
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enumerator EXTRACT¶
Default command - extract thermodynamic data from log files.
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enumerator CHECK_DONE¶
Check and organize completed job calculations.
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enumerator CHECK_ERRORS¶
Check and organize jobs that terminated with errors.
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enumerator CHECK_PCM¶
Check and organize jobs with PCM convergence failures.
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enumerator CHECK_IMAGINARY¶
Check and organize jobs with imaginary frequencies.
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enumerator CHECK_ALL¶
Run comprehensive checks for all job types.
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enumerator HIGH_LEVEL_KJ¶
Calculate high-level energies with output in kJ/mol units.
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enumerator HIGH_LEVEL_AU¶
Calculate high-level energies with detailed output in atomic units.
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enumerator EXTRACT_COORDS¶
Extract coordinates from log files and organize XYZ files.
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enumerator CREATE_INPUT¶
Create Gaussian input files from XYZ files.
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enumerator EXTRACT¶