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 =1,2 The DISTANCE action with label d12 calculates a single scalar value
d13: DISTANCE =1,3 The DISTANCE action with label d13 calculates a single scalar value
d14: DISTANCE =1,4 The DISTANCE action with label d14 calculates a single scalar value
d15: DISTANCE =1,5 The DISTANCE action with label d15 calculates a single scalar value
sort: SORT =d12 ,d13 ,d14 ,d15 The SORT action with label sort calculates the following quantities:
Quantity Description
sort.1 the label of this action is set by user in the input. See documentation above.
sort.2 the label of this action is set by user in the input. See documentation above.
sort.3 the label of this action is set by user in the input. See documentation above.
sort.4 the label of this action is set by user in the input. See documentation above.
PRINT =sort.1 ,sort.4 The PRINT action with label
d12: DISTANCE =1,2 The DISTANCE action with label d12 calculates a single scalar value
d13: DISTANCE =1,3 The DISTANCE action with label d13 calculates a single scalar value
d14: DISTANCE =1,4 The DISTANCE action with label d14 calculates a single scalar value
d15: DISTANCE =1,5 The DISTANCE action with label d15 calculates a single scalar value
sort: SORT_SCALAR =d12 ,d13 ,d14 ,d15 The SORT_SCALAR action with label sort calculates the following quantities:
Quantity Description
sort.1 the label of this action is set by user in the input. See documentation above.
sort.2 the label of this action is set by user in the input. See documentation above.
sort.3 the label of this action is set by user in the input. See documentation above.
sort.4 the label of this action is set by user in the input. See documentation above.
PRINT =sort.1 ,sort.4 The PRINT action with label
Glossary of keywords and components
Options
ARG the input to this function. You can use multiple instances of this keyword i.e. ARG1, ARG2, ARG3...