Options_module::OptionsSet Type Reference

MPI-SCATCI input. More...

Public Member Functions
procedure, public	read (this)
	Read all relevant namelists from the input.
procedure, public	setup_write_order (this)
	Set up write order flags.

Public Attributes
type(options), dimension(:), allocatable	opts
type(interfaceoptions), dimension(:), allocatable	interface_opts

Private Member Functions
procedure, private	read_all_input (this, io)
	Read all &INPUT namelists from file unit.
procedure, private	read_all_cinorn (this, io)
	Read all &CINORN namelists from file unit.
procedure, private	read_outer_interface (this, io)
	Read contents of the OUTER interface namelist.

Detailed Description

MPI-SCATCI input.

Authors

J Benda

Date

2019 - 2024

Input configuration of the calculation as a set of Options types. Typically, there is one Options instance for each Hamiltonian (irreducible representation) to diagonalize. Also contains data from &outer_interface namelists.

Definition at line 239 of file Options_module.f90.

Member Function/Subroutine Documentation

read()

procedure, public Options_module::OptionsSet::read

(

class(optionsset), intent(inout)

this

)

Read all relevant namelists from the input.

Authors

A Al-Refaie, J Benda

Date

2017 - 2019

Finds out whether the program received the input file path via the command line; if not, it will be read from the standard input. Then reads all &INPUT namelists, followed by all &CINORN namelists. The data read from the namelists are used to initialize objects of type Options.

Definition at line 243 of file Options_module.f90.

read_all_cinorn()

procedure, private Options_module::OptionsSet::read_all_cinorn ( class(optionsset), intent(inout) this, integer, intent(in) io )

private

Read all &CINORN namelists from file unit.

Authors

J Benda

Date

2019

Reads all &CINORN namelists in the order present in the source file and stores the data in the internal array (reallocated whenever necessary).

Parameters

[in,out]	this	OptionSet object to update.
[in]	io	File unit to process.

Returns

Number of &CINORN namelists read from the file.

Definition at line 245 of file Options_module.f90.

read_all_input()

procedure, private Options_module::OptionsSet::read_all_input ( class(optionsset), intent(inout) this, integer, intent(in) io )

private

Read all &INPUT namelists from file unit.

Authors

J Benda

Date

2019 - 2022

Reads all &INPUT namelists in the order present in the source file and stores the data in the internal array (reallocated whenever necessary).

Parameters

[in,out]	this	OptionSet object to update.
[in]	io	File unit to process.

Returns

Number of &INPUT namelists read from the file.

Definition at line 244 of file Options_module.f90.

read_outer_interface()

procedure, private Options_module::OptionsSet::read_outer_interface ( class(optionsset), intent(inout) this, integer, intent(in) io )

private

Read contents of the OUTER interface namelist.

Authors

J Benda

Date

2019 - 2024

Reads setup(s) of the OUTER interfaces(s).

Parameters

[in,out]	this	OptionSet object to update.
[in]	io	File unit to process.

Definition at line 246 of file Options_module.f90.

setup_write_order()

procedure, public Options_module::OptionsSet::setup_write_order

(

class(optionsset), intent(inout)

this

)

Set up write order flags.

Authors

J Benda

Date

2019

To prevent mutual overwriting of the common output file, the MPI group masters, who write the eigenvectors to disk, need to communicate, so that the next set written by the next process commences only once the previous write is finished.

Definition at line 247 of file Options_module.f90.

Member Data Documentation

interface_opts

type(interfaceoptions), dimension(:), allocatable Options_module::OptionsSet::interface_opts

Definition at line 241 of file Options_module.f90.

opts

type(options), dimension(:), allocatable Options_module::OptionsSet::opts

Definition at line 240 of file Options_module.f90.

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The documentation for this type was generated from the following file:

• /scratch.ssd/codes/ukrmol-in-git/source/mpi-ci-diag/Modules/Options/Options_module.f90