4.1. FILES#
4.1.1. File Management#
The FILES module manages the collection of files of the computational experiment from a single command, archiving or unarchiving the files handled throughout the simulation and calculation of the electronic structure. Management is performed using the following command structure:
files ⟨solute.trj.xyz⟩ [⟨-options⟩]
Note
Simply type files in the terminal and press enter to see the full list of execution options for the module.
4.1.2. Execution Options#
files ⟨solute+solvent_molN.ext⟩ [⟨-options⟩]
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auto : Execute an automated file management. [-fa]
» Description
Compress if intermediate files are present
Expand if intermediate files are absent
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-cpt : Compact the intermediate files. [Default: No] [-cp]
-ext : Extract the intermediate files. [Default: No] [-ex]
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4.1.3. Quickstart Examples#
Under construction…