custodian.cp2k.validators module

Validators for CP2K calculations.

class custodian.cp2k.validators.Cp2kOutputValidator(output_file=’cp2k.out’)

Bases: Cp2kValidator

Checks that a valid cp2k output file was generated

• Parameters

  output_file (str) – cp2k output file to analyze

check()

Check for valid output. Checks that the end of the program was reached, and that convergence was achieved.

property exit()

Don’t raise error, but exit the job

property kill()

Kill the job with raise error.

property no_children()

Job should not have children

class custodian.cp2k.validators.Cp2kValidator()

Bases: Validator

Base validator.

abstract check()

Check whether validation failed. Here, True means validation failed.

abstract property exit()

Don’t raise error, but exit the job

abstract property kill()

Kill the job with raise error.

abstract property no_children()

Job should not have children