ELF_OPENPMD

Controls printing of openPMD files with the electron localization function (ELF). Note that the value of ELF is defined between 0 and 1: Pauli kinetic energy density normalized by the kinetic energy density of a uniform el. gas of same density. [Edit on GitHub]

Subsections

Keywords

Keyword descriptions

SECTION_PARAMETERS

Type: enum
Default: OFF
Lone keyword: SILENT
Usage: silent

Description: Level starting at which this property is printed

Valid values:

  • ON

  • OFF

  • SILENT

  • LOW

  • MEDIUM

  • HIGH

  • DEBUG

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ADD_LAST

Type: enum
Default: NO
Usage: ADD_LAST (NO|NUMERIC|SYMBOLIC)

Description: If the last iteration should be added, and if it should be marked symbolically (with lowercase letter l) or with the iteration number. Not every iteration level is able to identify the last iteration early enough to be able to output. When this keyword is activated all iteration levels are checked for the last iteration step.

Valid values:

  • NO Do not mark last iteration specifically

  • NUMERIC Mark last iteration with its iteration number

  • SYMBOLIC Mark last iteration with lowercase letter l

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COMMON_ITERATION_LEVELS

Type: integer
Default: 0
Usage: COMMON_ITERATION_LEVELS

Description: How many iterations levels should be written in the same file (no extra information about the actual iteration level is written to the file)

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DENSITY_CUTOFF

Type: real
Default: 1.00000000E-010
Usage: density_cutoff 0.0001

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FILENAME

Type: string
Usage: FILENAME ./filename

Description: controls part of the filename for output. use __STD_OUT__ (exactly as written here) for the screen or standard logger. use filename to obtain projectname-filename. use ./filename to get filename. A middle name (if present), iteration numbers and extension are always added to the filename. if you want to avoid it use =filename, in this case the filename is always exactly as typed. Please note that this can lead to clashes of filenames.

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LOG_PRINT_KEY

Type: logical
Default: F
Lone keyword: T
Usage: LOG_PRINT_KEY

Description: This keywords enables the logger for the print_key (a message is printed on screen everytime data, controlled by this print_key, are written)

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OPENPMD_CFG

Type: string
Default: {}

Description: Inline runtime config for openPMD output. Note that inline specifications are subject to restrictions imposed by the input file format, making this option useful only for very simple use cases. Refer to OPENPMD_CFG_FILE for anything else.

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OPENPMD_CFG_FILE

Type: string

Description: Runtime config file for openPMD output. This parameter takes precedence over OPENPMD_CFG.

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OPENPMD_EXTENSION

Type: string
Default: _%06T..bp5

Description: Filename extension for openPMD files, including the dot and (for optionally activating file encoding) a file expansion pattern.

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STRIDE

Type: integer[ ]
Default: 1 1 1
Usage: STRIDE 1 1 1

Description: The stride (X,Y,Z) used to write the file (larger values result in smaller files). You can provide 3 numbers (for X,Y,Z) or 1 number valid for all components.

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__CONTROL_VAL

Type: integer
Default: 8

Description: hidden parameter that controls storage, printing,… of the print_key

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