showVerbosityRegions

showVerbosityRegions()

After calling this function, all logging output will be prepended with the tag of the logging region that the outputted line belongs to.

These tags can be used to partially enable or disable logging output. See setVerbosity() for more information.

Usage Examples

For all QuantumATK logging output lines, prepend the logging region tag if one exists:

# QuantumATK verbosity
showVerbosityRegions()

# Set up configuration
molecule_configuration = MoleculeConfiguration(
    elements=[Nitrogen, Hydrogen, Hydrogen, Hydrogen],
    cartesian_coordinates=[[ 0.     ,  0.      ,  0.124001],
                           [ 0.     ,  0.941173, -0.289336],
                           [ 0.81508, -0.470587, -0.289336],
                           [-0.81508, -0.470587, -0.289336]]*Angstrom
    )

# Calculator
calculator = LCAOCalculator()
molecule_configuration.setCalculator(calculator)
molecule_configuration.update()

As seen in the example below, the region tags are shown in capital letters at the beginning of lines in the logging output:

CHECKPOINT_FILE          ==> +------------------------------------------------------------------------------+
CHECKPOINT_FILE          ==> | Checkpoint Handler                                                           |
CHECKPOINT_FILE          ==> | Filename : /tmp/checkpoint22107724.nc                                        |
CHECKPOINT_FILE          ==> | Interval : 0.5 h                                                             |
CHECKPOINT_FILE          ==> +------------------------------------------------------------------------------+

                            |--------------------------------------------------|
Calculating Eigenvalues    : ==================================================
Calculating Density Matrix : ==================================================

SCF_HEADER               ==> +------------------------------------------------------------------------------+
SCF_HEADER               ==> | Density Matrix Report                       DM        DD                     |
SCF_HEADER               ==> +------------------------------------------------------------------------------+
MULLIKEN_REPORT          ==> |   0   N   [  0.000 ,  0.000 ,  0.124 ]    5.35681   0.35681                  |
MULLIKEN_REPORT          ==> |   1   H   [  0.000 ,  0.941 , -0.289 ]    0.88105  -0.11895                  |
MULLIKEN_REPORT          ==> |   2   H   [  0.815 , -0.471 , -0.289 ]    0.88107  -0.11893                  |
MULLIKEN_REPORT          ==> |   3   H   [ -0.815 , -0.471 , -0.289 ]    0.88107  -0.11893                  |
MULLIKEN_REPORT          ==> +------------------------------------------------------------------------------+
SCF_PROGRESS             ==> |   0 E = -4.24374 dE =  1.000000e+00 dH =  3.517309e-01                       |
SCF_PROGRESS_END         ==> +------------------------------------------------------------------------------+

Note

The showVerbosityRegions() function does not show the logging region tag for QuantumATK progress bars. However, verbosity for these can still be disabled; the region tag is PROGRESS_BARS.

Notes

See setVerbosity() for more information about how to use logging region tags to partially enable or disable QuantumATK logging output.