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assert_false

Assert that a resulting flag from the previous calculation is false. For example:

dft(
  structure( molecule = water )
  ao = 'STO-3G'
  xc = PBE
  max_iter = 1
  no_fail = true
)
assert_false( variable = converged )
Alternatively, assertions about assigned result sets can be made as follows:

foo := dft(
  structure( molecule = water )
  ao = 'STO-3G'
  xc = PBE
  max_iter = 1
  no_fail = true
)
assert_false( load = foo variable = converged )
This command can appear in the global context.

Options

load

Name of result set to load the variable from.

  • The type is string
  • There is no default value.
name

Name of result set to take the variable from.

This option is deprecated.

  • The type is string
  • The default is previous
variable

Name of variable to be tested.

This option is mandatory.

  • The type is string
  • There is no default value.