`aiida_vasp.commands.tools`#

Module for easy access to aiida-vasp calculations.

Module Contents#

`tools`	Tool for aiida-vasp related data
`export`	Export a VASP calculation, works for both VaspCalculation or VaspWorkChain
`select_calcjob_from_work`	Select calcjob from work
`remotecat`	Print the conetent of a remote file to STDOUT
`remotepull`	Pull a calculation folder from the remote
`remotetail`	Follow a file on the remote computer
`relaxcat`	Cat the output of the last calculation of a finished workflow
`tailf_command`	Specific gotocomputer string to connect to a given remote computer via ssh and directly go to the calculation folder and then do tail -f of the target file.

aiida_vasp.commands.tools.export(process, folder: str, decompress: bool, include_potcar: bool) → None#: Export a VASP calculation, works for both VaspCalculation or VaspWorkChain

aiida_vasp.commands.tools.select_calcjob_from_work(func)[source]#: Select calcjob from work

aiida_vasp.commands.tools.remotecat(calcjob, fname: str, save_to: str | None) → None#

Print the conetent of a remote file to STDOUT

This command for printing the content of a remote file to STDOUT. Useful for analysing running calculations.

aiida_vasp.commands.tools.remotepull(calcjob, dest: str, max_size: str | None) → None#

Pull a calculation folder from the remote

This command for pull a calculation folder to a local folder. rsync is used for doing the heavy lifting.

aiida_vasp.commands.tools.remotetail(calcjob, fname: str) → None#

Follow a file on the remote computer

This command will launch a ssh session dedicated for following a file using the tail -f command

aiida_vasp.commands.tools.relaxcat(workflow, fname: str) → None#: Cat the output of the last calculation of a finished workflow

aiida_vasp.commands.tools.tailf_command(transport, remotedir: str, fname: str) → str[source]#: Specific gotocomputer string to connect to a given remote computer via ssh and directly go to the calculation folder and then do tail -f of the target file.