Back to the main page of this manual | Input reference of CP2K version 2023.1 (Development Version) |
CP2K_INPUT /
FORCE_EVAL /
SUBSYS /
COLVAR /
DISTANCE_FROM_PATH /
COLVAR /
POPULATION /
POINT
ATOMS {Integer} ... |
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Specifies the indexes of atoms defining the geometrical center [Edit on GitHub] | |
This keyword can be repeated and it expects a list of integers. |
TYPE {Keyword} |
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Chooses the type of geometrical point [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one keyword. | |
Default value:
GEO_CENTER |
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List of valid keywords:
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WEIGHTS {Real} ... |
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Specifies the weights for a weighted geometrical center. Default is 1/natoms for every atom [Edit on GitHub] | |
This keyword can be repeated and it expects a list of reals. |
XYZ {Real} {Real} {Real} |
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Specifies the xyz of the fixed point (if the case) [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely 3 reals. | |
Default unit:
[bohr]
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Back to the main page of this manual or the CP2K home page | (Last update: 5.6.2023) |