dev:codestructure
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| codestructure [2013/10/10 14:22] – [Data Structure of Key Variables] 159.92.9.130 | dev:codestructure [2020/08/21 10:15] (current) – external edit 127.0.0.1 | ||
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| * '' | * '' | ||
| - | * '' | + | * '' |
| + | * '' | ||
| * '' | * '' | ||
| * '' | * '' | ||
| * '' | * '' | ||
| * '' | * '' | ||
| - | * '' | + | * '' |
| * '' | * '' | ||
| * '' | * '' | ||
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| * Extensive use of Fortran modules, and there are //no// global variables | * Extensive use of Fortran modules, and there are //no// global variables | ||
| * Major parts of the CP2K code are compiled into separate libraries, for example: | * Major parts of the CP2K code are compiled into separate libraries, for example: | ||
| - | * '' | + | * '' |
| + | * each library corresponds to a '' | ||
| ====== Structure of Quickstep ====== | ====== Structure of Quickstep ====== | ||
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| This subsection is the modules containing the definition the key data used in Quickstep calculations | This subsection is the modules containing the definition the key data used in Quickstep calculations | ||
| - | * Electronic density and its derivatives, | + | * Electronic density and its derivatives, |
| * Module: '' | * Module: '' | ||
| * File: '' | * File: '' | ||
| + | * Container type: '' | ||
dev/codestructure.1381414979.txt.gz · Last modified: 2020/08/21 10:14 (external edit)