Back to the main page of this manual | Input reference of CP2K version 2.2.426 |
SILENT | |
Level starting at which this proprety is printed | |
This optional keyword cannot be repeated and it expects precisely one keyword. | |
Default value: HIGH | |
List of valid keywords:
|
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 cannot be repeated and it expects precisely one keyword. | |
Default value: NO | |
List of valid keywords:
|
Prints information when parsing ABER topology files. | |
This optional keyword cannot be repeated and it expects precisely one logical. | |
The lone keyword behaves as a switch to .TRUE. | |
Default value: .FALSE. |
Prints information when parsing CIF files. | |
This optional keyword cannot be repeated and it expects precisely one logical. | |
The lone keyword behaves as a switch to .TRUE. | |
Default value: .FALSE. |
COMMON_ITERATION_LEVELS <INTEGER> | |
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 cannot be repeated and it expects precisely one integer. | |
Default value: 0 |
Prints information when parsing CRD files. | |
This optional keyword cannot be repeated and it expects precisely one logical. | |
The lone keyword behaves as a switch to .TRUE. | |
Default value: .FALSE. |
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 cannot be repeated and it expects precisely one string. | |
Default value: __STD_OUT__ |
Prints information when parsing G96 files. | |
This optional keyword cannot be repeated and it expects precisely one logical. | |
The lone keyword behaves as a switch to .TRUE. | |
Default value: .FALSE. |
Prints information regarding topology generation | |
This optional keyword cannot be repeated and it expects precisely one logical. | |
The lone keyword behaves as a switch to .TRUE. | |
Default value: .FALSE. |
Prints information when parsing GROMOS topology files. | |
This optional keyword cannot be repeated and it expects precisely one logical. | |
The lone keyword behaves as a switch to .TRUE. | |
Default value: .FALSE. |
LOG_PRINT_KEY <LOGICAL> | |
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 cannot be repeated and it expects precisely one logical. | |
The lone keyword behaves as a switch to .TRUE. | |
Default value: .FALSE. |
Prints information when parsing PDB files. | |
This optional keyword cannot be repeated and it expects precisely one logical. | |
The lone keyword behaves as a switch to .TRUE. | |
Default value: .FALSE. |
Prints information when parsing PSF files. | |
This optional keyword cannot be repeated and it expects precisely one logical. | |
The lone keyword behaves as a switch to .TRUE. | |
Default value: .FALSE. |
Prints information regarding topology utilities | |
This optional keyword cannot be repeated and it expects precisely one logical. | |
The lone keyword behaves as a switch to .TRUE. | |
Default value: .FALSE. |
Prints information when parsing XTL files. | |
This optional keyword cannot be repeated and it expects precisely one logical. | |
The lone keyword behaves as a switch to .TRUE. | |
Default value: .FALSE. |
Prints information when parsing XYZ files. | |
This optional keyword cannot be repeated and it expects precisely one logical. | |
The lone keyword behaves as a switch to .TRUE. | |
Default value: .FALSE. |
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