SORT

This is part of the function module

This function can be used to sort colvars according to their magnitudes.

Description of components

This function sorts its arguments according to their magnitudes. The lowest argument will be labelled label.1, the second lowest will be labelled label.2 and so on.

Examples

The following input tells plumed to print the distance of the closest and of the farthest atoms to atom 1, chosen among atoms from 2 to 5

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

contract shortcuts

d12: DISTANCE ATOMSthe pair of atom that we are calculating the distance between. =1,2 The DISTANCE action with label d12 calculates a single scalar value
d13: DISTANCE ATOMSthe pair of atom that we are calculating the distance between. =1,3 The DISTANCE action with label d13 calculates a single scalar value
d14: DISTANCE ATOMSthe pair of atom that we are calculating the distance between. =1,4 The DISTANCE action with label d14 calculates a single scalar value
d15: DISTANCE ATOMSthe pair of atom that we are calculating the distance between. =1,5 The DISTANCE action with label d15 calculates a single scalar value
sort: SORT ARGthe input to this function. =d12,d13,d14,d15 The SORT action with label sort calculates the following quantities:

 Quantity   
 Description  
sort.1
the 1th largest of the input scalars
sort.2
the 2th largest of the input scalars
sort.3
the 3th largest of the input scalars
sort.4
the 4th largest of the input scalars


PRINT ARGthe input for this action is the scalar output from one or more other actions. =sort.1,sort.4 The PRINT action with label 

d12: DISTANCE ATOMSthe pair of atom that we are calculating the distance between. =1,2 The DISTANCE action with label d12 calculates a single scalar value
d13: DISTANCE ATOMSthe pair of atom that we are calculating the distance between. =1,3 The DISTANCE action with label d13 calculates a single scalar value
d14: DISTANCE ATOMSthe pair of atom that we are calculating the distance between. =1,4 The DISTANCE action with label d14 calculates a single scalar value
d15: DISTANCE ATOMSthe pair of atom that we are calculating the distance between. =1,5 The DISTANCE action with label d15 calculates a single scalar value
PRINT ARGthe input for this action is the scalar output from one or more other actions. =sort.1,sort.4 The PRINT action with label 
Glossary of keywords and components

Description of components

The names of the components in this action will be customized in accordance with the contents of the input file. The largest value is called label.1th, the second largest label.2th, the third label.3th and so on


 Quantity   
 Description    

 .#!value  
sorted   

Options



 ARG  
the input to this function. You can use multiple instances of this keyword i.e. ARG1, ARG2, ARG3...