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BOUNDARIES {Real} {Real} | |
Defines the boundaries to which the optimization is restricted. First value is the lower bound, second value is the upper bound. [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely 2 reals. |
MAX_VAR_FRACTION {Real} | |
Defines the maximum fractionr by which the exponent is allowed to vary. e.g. 0.5 allows the exp to vary by 0.5*exp in both directions. [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. |
USE_EXP {Integer} {Integer} | |
Defines the exponent to be constraint. The two integers indicate the set number and i'th exponent. The value -1 can be used to mark all sets/expoenents in a set. [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely 2 integers. |
Back to the main page of this manual or the CP2K home page | (Last update: 25.6.2019) |