CELL
This is part of the colvar module

Calculate the components of the simulation cell

Examples

The following input tells plumed to print the squared modulo of each of the three lattice vectors

Click on the labels of the actions for more information on what each action computes
tested on master
cell: CELL 
aaa: COMBINE 
ARG
the input for this action is the scalar output from one or more other actions.
=cell.ax,cell.ay,cell.az
POWERS
compulsory keyword ( default=1.0 ) the powers to which you are raising each of the arguments in your function
=2,2,2
PERIODIC
compulsory keyword if the output of your function is periodic then you should specify the periodicity of the function.
=NO bbb: COMBINE
ARG
the input for this action is the scalar output from one or more other actions.
=cell.bx,cell.by,cell.bz
POWERS
compulsory keyword ( default=1.0 ) the powers to which you are raising each of the arguments in your function
=2,2,2
PERIODIC
compulsory keyword if the output of your function is periodic then you should specify the periodicity of the function.
=NO ccc: COMBINE
ARG
the input for this action is the scalar output from one or more other actions.
=cell.cx,cell.cy,cell.cz
POWERS
compulsory keyword ( default=1.0 ) the powers to which you are raising each of the arguments in your function
=2,2,2
PERIODIC
compulsory keyword if the output of your function is periodic then you should specify the periodicity of the function.
=NO PRINT
ARG
the input for this action is the scalar output from one or more other actions.
=aaa,bbb,ccc
Glossary of keywords and components
Description of components

By default this Action calculates the following quantities. These quantities can be referenced elsewhere in the input by using this Action's label followed by a dot and the name of the quantity required from the list below.

Quantity Description
ax the ax component of the cell matrix
ay the ay component of the cell matrix
az the az component of the cell matrix
bx the bx component of the cell matrix
by the by component of the cell matrix
bz the bz component of the cell matrix
cx the cx component of the cell matrix
cy the cy component of the cell matrix
cz the cz component of the cell matrix
Options
NUMERICAL_DERIVATIVES

( default=off ) calculate the derivatives for these quantities numerically