The CP2K project : input section TOPOLOGY_INFO

Section TOPOLOGY_INFO

Index of all sections. This section is located at __ROOT__%FORCE_EVAL%SUBSYS%PRINT%TOPOLOGY_INFO.

controls the printing of information in the topology settings. This section can not be repeated and can be optional.

Subsections

Section keywords

Keyword descriptions

_SECTION_PARAMETERS_
silent
Level starting at which this proprety is printed
This optional keyword expects a keyword
This keyword behaves as a switch SILENT . Default value: HIGH
valid keywords: ON, OFF, SILENT, LOW, MEDIUM, HIGH, DEBUG
ADD_LAST
ADD_LAST NUMERIC
If the last iteration should be added, and if it should be marked symbolically (with 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.
This optional keyword expects a keyword. Default value: NO
valid keywords: NO, NUMERIC, SYMBOLIC
COMMON_ITERATION_LEVELS
COMMON_ITERATION_LEVELS
How many iterations levels should be written in the same file (no extra information about the actual iteration level is written to the file)
This optional keyword expects an integer. Default value: 0
FILENAME
FILENAME ./filename
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.
This optional keyword expects a string. Default value: __STD_OUT__
LOG_PRINT_KEY
LOG_PRINT_KEY
This keywords enables the logger for the print_key (a message is printed on screen everytime data, controlled by this print_key, are written)
This optional keyword expects a logical
This keyword behaves as a switch T . Default value: F
__CONTROL_VAL
hidden parameter that controls storage, printing,... of the print_key
This optional keyword expects an integer. Default value: 8
XTL_INFO
Prints information when parsing XTL files.
This optional keyword expects a logical
This keyword behaves as a switch T . Default value: F
CIF_INFO
Prints information when parsing CIF files.
This optional keyword expects a logical
This keyword behaves as a switch T . Default value: F
PDB_INFO
Prints information when parsing PDB files.
This optional keyword expects a logical
This keyword behaves as a switch T . Default value: F
XYZ_INFO
Prints information when parsing XYZ files.
This optional keyword expects a logical
This keyword behaves as a switch T . Default value: F
PSF_INFO
Prints information when parsing PSF files.
This optional keyword expects a logical
This keyword behaves as a switch T . Default value: F
AMBER_INFO
Prints information when parsing ABER topology files.
This optional keyword expects a logical
This keyword behaves as a switch T . Default value: F
G96_INFO
Prints information when parsing G96 files.
This optional keyword expects a logical
This keyword behaves as a switch T . Default value: F
CRD_INFO
Prints information when parsing CRD files.
This optional keyword expects a logical
This keyword behaves as a switch T . Default value: F
GTOP_INFO
Prints information when parsing GROMOS topology files.
This optional keyword expects a logical
This keyword behaves as a switch T . Default value: F
UTIL_INFO
Prints information regarding topology utilities
This optional keyword expects a logical
This keyword behaves as a switch T . Default value: F
GENERATE_INFO
Prints information regarding topology generation
This optional keyword expects a logical
This keyword behaves as a switch T . Default value: F


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