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
cell: CELL
aaa: COMBINE ARGthe input for this action is the scalar output from one or more other actions. =cell.ax,cell.ay,cell.az POWERScompulsory keyword ( default=1.0 )
the powers to which you are raising each of the arguments in your function =2,2,2 PERIODICcompulsory keyword
if the output of your function is periodic then you should specify the periodicity
of the function. =NO
bbb: COMBINE ARGthe input for this action is the scalar output from one or more other actions. =cell.bx,cell.by,cell.bz POWERScompulsory keyword ( default=1.0 )
the powers to which you are raising each of the arguments in your function =2,2,2 PERIODICcompulsory keyword
if the output of your function is periodic then you should specify the periodicity
of the function. =NO
ccc: COMBINE ARGthe input for this action is the scalar output from one or more other actions. =cell.cx,cell.cy,cell.cz POWERScompulsory keyword ( default=1.0 )
the powers to which you are raising each of the arguments in your function =2,2,2 PERIODICcompulsory keyword
if the output of your function is periodic then you should specify the periodicity
of the function. =NO
PRINT ARGthe 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