printkey
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— | printkey [2014/02/09 14:07] – converted from doc/tutorialCp2k.html, Credit: Fawzi Mohamed oschuett | ||
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+ | ====== Print Keys ====== | ||
+ | To control the output of information or properties often // | ||
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+ | To understand how to control the output it is necessary to first understand the //iteration level//. During the calculations cp2k keeps a global iteration level which is a set of integers that keep track which iteration one is doing at that moment. | ||
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+ | The exact meaning of each iteration level depends on the run type, for example doing an MD with the QS GPW method an iteration level of 1_4_5 means that the program is doing the 5th scf step of the 4th md step, whereas 1_9 means the we are at the 9th md setp (outside the scf loop). The first 1 is a root iteration level that stays always 1 during a normal md run | ||
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+ | * section parameter: Level starting at which this property is printed, valid values are '' | ||
+ | * '' | ||
+ | * '' | ||
+ | * '' | ||
+ | * '' | ||
+ | * Use '' | ||
+ | * Use " | ||
+ | * Use " | ||
+ | * Use " | ||
printkey.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1