[CP2K-user] [CP2K:17478] How to define a plane thru its normal vector
alh chin
alhchin at gmail.com
Mon Aug 15 03:01:16 UTC 2022
Dear all.
I am working on a metadynamics study. I want to define a collective
variable as the distance from an atom to a plane. I have two questions:
(1) one can define a plane by its normal vector, see
CP2K_INPUT / FORCE_EVAL / SUBSYS / COLVAR / ANGLE_PLANE_PLANE / PLANE
<https://manual.cp2k.org/cp2k-2022_1-branch_with_links/CP2K_INPUT/FORCE_EVAL/SUBSYS/COLVAR/ANGLE_PLANE_PLANE/PLANE.html#list_NORMAL_VECTOR>
keyword
NORMAL_VECTOR {Real} {Real} {Real}
*Alternatively to 3 atoms/points one can define one of the two, planes by
defining its NORMAL vector.*
*my question*: since it's not a fixed vector, how to define a fixed plane?
(2)the manual emphasizes that
*"At least one plane must be defined through atoms."*
*my question*: for what reason at least one plane must be defined thru
atoms? why can't I define all planes thru normal vectors?
Thanks!
Alh.
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