grasp_rciqed_rcisettings Module Reference

Data Types
type	rcisettings

Functions/Subroutines
logical function, public	read_settings_toml (jobname, settings)
	Read a .setting.toml for an RCI job into a rcisettings object. More...
subroutine, public	write_settings_toml (jobname, setype)
	Writes a .settings.toml file with the nuclear, grid and Hamiltonian settings that were used for the RCI run. More...
subroutine	write_toml_expfloat (unit, label, value)
	Writes a TOML key-value line for a floating point number in exponent notation. More...

Function/Subroutine Documentation

read_settings_toml()

logical function, public grasp_rciqed_rcisettings::read_settings_toml	(	character(len=*), intent(in)	jobname,
		type(rcisettings), intent(out)	settings
	)

Read a .setting.toml for an RCI job into a rcisettings object.

Parameters

jobname	Name of the RCI job. File assumed to be called .settings.toml.
settings	rcisettings instance to be populated by the values.

Returns

Returns .true. it the parsing was successful, and .false. if there was a problem.

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write_settings_toml()

subroutine, public grasp_rciqed_rcisettings::write_settings_toml	(	character(len=*), intent(in)	jobname,
		integer, intent(in)	setype
	)

Writes a .settings.toml file with the nuclear, grid and Hamiltonian settings that were used for the RCI run.

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write_toml_expfloat()

subroutine grasp_rciqed_rcisettings::write_toml_expfloat	(	integer, intent(in)	unit,
		character(*), intent(in)	label,
		real(real64), intent(in)	value
	)

Writes a TOML key-value line for a floating point number in exponent notation.

The problem is that with the E Fortran edit descriptors you end up with a leading zero in the exponent, which is not allowed by the TOML format specification. To the best of my knowledge, you can not fix this with format descriptions in a generic way (you can set the width of the exponent to 1 character, but then writing numbers with exponents \( |\textrm{exp}| \geq 10 \) will fail).

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