Shortcut: MEAN

Module	function
Description	Usage
Calculate the arithmetic mean of the elements in a vector
output value	type
the sum	scalar

Input

The arguments that serve as the input for this action are specified using one or more of the keywords in the following table.

Further details and examples

Calculate the arithmetic mean of the elements in a vector

This action takes a single vector or a single matrix in input. The output is a scalar that contains the mean of all the elements in the input vector/matrix. This action is useful if you want do to calculations like the one illustrated in this example:

Click on the labels of the actions for more information on what each action computes

dThe DISTANCE action with label d calculates the following quantities:
 Quantity   
 Type   
 Description  
d
vector
the DISTANCE for each set of specified atoms: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMS1the pair of atom that we are calculating the distance between=1,2 ATOMS2the pair of atom that we are calculating the distance between=3,4 ATOMS3the pair of atom that we are calculating the distance between=5,6 ATOMS4the pair of atom that we are calculating the distance between=7,8
mThe MEAN action with label m calculates the following quantities:
 Quantity   
 Type   
 Description  
m
scalar
the mean of all the elements in the input vector: MEANCalculate the arithmetic mean of the elements in a vector More details ARGthe values input to this function=d PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
PRINTPrint quantities to a file. More details ARGthe labels of the values that you would like to print to the file=m FILEthe name of the file on which to output these quantities=colvar

The output from the MEAN action here is the average over the four distances that are evaluated by the DISTANCE action. Notice that you can also do the calculation above using:

Click on the labels of the actions for more information on what each action computes

dThe DISTANCE action with label d calculates the following quantities:
 Quantity   
 Type   
 Description  
d
vector
the DISTANCE for each set of specified atoms: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMS1the pair of atom that we are calculating the distance between=1,2 ATOMS2the pair of atom that we are calculating the distance between=3,4 ATOMS3the pair of atom that we are calculating the distance between=5,6 ATOMS4the pair of atom that we are calculating the distance between=7,8
sThe SUM action with label s calculates the following quantities:
 Quantity   
 Type   
 Description  
s
scalar
the sum of all the elements in the input vector: SUMCalculate the sum of the arguments More details ARGthe values input to this function=d PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
mThe CUSTOM action with label m calculates the following quantities:
 Quantity   
 Type   
 Description  
m
scalar
an arbitrary function: CUSTOMCalculate a combination of variables using a custom expression. More details ARGthe values input to this function=s FUNCthe function you wish to evaluate=x/4 PERIODICif the output of your function is periodic then you should specify the periodicity of the function=NO
PRINTPrint quantities to a file. More details ARGthe labels of the values that you would like to print to the file=m FILEthe name of the file on which to output these quantities=colvar

Syntax

The following table describes the keywords and options that can be used with this action