Shortcut: HIGHEST

Module	function
Description	Usage
This function can be used to find the highest colvar by magnitude in a set.
output value	type
the lowest of the input values	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

This function can be used to find the highest colvar by magnitude in a set.

This action allows you to find the highest of the input arguments. As a first example of how it might be used consider the following input:

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

d1The DISTANCE action with label d1 calculates the following quantities:
 Quantity   
 Type   
 Description  
d1
scalar
the DISTANCE between this pair of atoms: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=1,2
d2The DISTANCE action with label d2 calculates the following quantities:
 Quantity   
 Type   
 Description  
d2
scalar
the DISTANCE between this pair of atoms: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=3,4
h1The HIGHEST action with label h1 calculates the following quantities:
 Quantity   
 Type   
 Description  
h1
scalar
the lowest of the input values: HIGHESTThis function can be used to find the highest colvar by magnitude in a set. More details ARGthe values input to this function=d1,d2
PRINTPrint quantities to a file. More details ARGthe labels of the values that you would like to print to the file=h1 FILEthe name of the file on which to output these quantities=colvar

The value, h1, that is output to the file colvar here will be equal to d1 if d1>d2 and will be equal to d2 if d2>d1. In other words, if all the arguments input to a HIGHEST action are scalars then the output value will be a scalar that is equal to the largest of the input arguments. Notice that you can also use this command with more than two arguments as illustrated below:

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

d1The DISTANCE action with label d1 calculates the following quantities:
 Quantity   
 Type   
 Description  
d1
scalar
the DISTANCE between this pair of atoms: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=1,2
d2The DISTANCE action with label d2 calculates the following quantities:
 Quantity   
 Type   
 Description  
d2
scalar
the DISTANCE between this pair of atoms: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=3,4
d3The DISTANCE action with label d3 calculates the following quantities:
 Quantity   
 Type   
 Description  
d3
scalar
the DISTANCE between this pair of atoms: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=5,6
d4The DISTANCE action with label d4 calculates the following quantities:
 Quantity   
 Type   
 Description  
d4
scalar
the DISTANCE between this pair of atoms: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=7,8
h1The HIGHEST action with label h1 calculates the following quantities:
 Quantity   
 Type   
 Description  
h1
scalar
the lowest of the input values: HIGHESTThis function can be used to find the highest colvar by magnitude in a set. More details ARGthe values input to this function=d1,d2,d3,d4
PRINTPrint quantities to a file. More details ARGthe labels of the values that you would like to print to the file=h1 FILEthe name of the file on which to output these quantities=colvar

Using a single vector as input

Instead of inputting multiple scalars you can input a single vector to this action instead as is illustrated below:

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
h1The HIGHEST action with label h1 calculates the following quantities:
 Quantity   
 Type   
 Description  
h1
scalar
the largest element of the input vector if one vector specified.  If multiple vectors of the same size specified the largest elements of these vector computed elementwise.: HIGHESTThis function can be used to find the highest colvar by magnitude in a set. More details ARGthe values input to this function=d
PRINTPrint quantities to a file. More details ARGthe labels of the values that you would like to print to the file=h1 FILEthe name of the file on which to output these quantities=colvar

The output from this action is a single scalar once again. This single scalar is equal to the largest element of the input vector.

Using multiple vectors in input

If you input multiple vectors with the same numbers of elements to this action, as shown below, the output will be a vector.

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

d1The DISTANCE action with label d1 calculates the following quantities:
 Quantity   
 Type   
 Description  
d1
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
d2The DISTANCE action with label d2 calculates the following quantities:
 Quantity   
 Type   
 Description  
d2
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=5,6 ATOMS2the pair of atom that we are calculating the distance between=7,8
d3The DISTANCE action with label d3 calculates the following quantities:
 Quantity   
 Type   
 Description  
d3
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=9,10 ATOMS2the pair of atom that we are calculating the distance between=11,12
h2The HIGHEST action with label h2 calculates the following quantities:
 Quantity   
 Type   
 Description  
h2
vector
the largest element of the input vector if one vector specified.  If multiple vectors of the same size specified the largest elements of these vector computed elementwise.: HIGHESTThis function can be used to find the highest colvar by magnitude in a set. More details ARGthe values input to this function=d1,d2,d3
PRINTPrint quantities to a file. More details ARGthe labels of the values that you would like to print to the file=h2 FILEthe name of the file on which to output these quantities=colvar

The elements of the output vector here are determined by doing an elementwise comparison of the elements in the input vectors. In the above input the first element of h2 is equal to the distance between atoms 1 and 2 if this distance is larger than the distances between atoms 5 and 6 and the distance between atoms 9 and 10. By the same token the second element of h2 is equal to the distance between atoms 3 and 4 if this is larger than the distance between atoms 7 and 8 and the distance between atoms 11 and 12. In other words, if the elements of the $j$th input vector are given by $v_i^{(j)}$ then the elements of the output vector, $h_i$ are given by:

$$h_i = \max_j v_i^{(j)}$$

Notice that you can also use a combination of scalars and vectors in the input to this action as shown below:

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

cThe CONSTANT action with label c calculates the following quantities:
 Quantity   
 Type   
 Description  
c
scalar
the constant value that was read from the plumed input: CONSTANTCreate a constant value that can be passed to actions This action has hidden defaults. More details VALUEthe single number that you would like to store=0.05
c: CONSTANTCreate a constant value that can be passed to actions This action uses the defaults shown here. More details VALUEthe single number that you would like to store=0.05  NROWS the number of rows in your input matrix=0 NCOLS the number of columns in your matrix=0
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
hThe HIGHEST action with label h calculates the following quantities:
 Quantity   
 Type   
 Description  
h
vector
the largest element of the input vector if one vector specified.  If multiple vectors of the same size specified the largest elements of these vector computed elementwise.: HIGHESTThis function can be used to find the highest colvar by magnitude in a set. More details ARGthe values input to this function=d,c
PRINTPrint quantities to a file. More details ARGthe labels of the values that you would like to print to the file=h FILEthe name of the file on which to output these quantities=colvar

For the input above the HIGHEST action outputs a vector with two elements. The elements of this vector are equal to the distances between the pairs of atoms that are specified in the DISTANCE command as long as those distances are greater than 0.05 nm. If either of the two input distances is less than 0.05 nm then the corresponding value in the vector h is set equal to 0.05 nm.

Syntax

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