The CP2K project : input section BOND_ROTATION

Section BOND_ROTATION

Index of all sections. This section is located at __ROOT__%FORCE_EVAL%SUBSYS%COLVAR%BOND_ROTATION.

Section to define the rotation of a bond/line with respect toanother bond/line. This section can not be repeated and can not be optional.

Subsections

Section keywords

Keyword descriptions

P1_BOND1
P1_BOND1 {integer}
Specifies the index of atom/point defining the first pointof the first bond/line.
This required keyword expects an integer
P2_BOND1
P2_BOND1 {integer}
Specifies the index of atom/point defining the second pointof the first bond/line.
This required keyword expects an integer
P1_BOND2
P1_BOND2 {integer}
Specifies the index of atom/point defining the first pointof the second bond/line.
This required keyword expects an integer
P2_BOND2
P2_BOND2 {integer}
Specifies the index of atom/point defining the second pointof the second bond/line.
This required keyword expects an integer


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