Shortcut: HEXACTIC_PARAMETER

Module symfunc
Description Usage
Calculate the hexatic order parameter used in 0 tutorialsused in 0 eggs
output value type
the value of the cylindrical harmonic for each bond vector specified matrix

Output components

This action can calculate the values in the following table when the associated keyword is included in the input for the action. These values can be referenced elsewhere in the input by using this Action’s label followed by a dot and the name of the value required from the list below.

Name Type Keyword Description
lessthan scalar LESS_THAN the number of colvars that have a value less than a threshold
morethan scalar MORE_THAN the number of colvars that have a value more than a threshold
altmin scalar ALT_MIN the minimum value of the cv
min scalar MIN the minimum colvar
max scalar MAX the maximum colvar
between scalar BETWEEN the number of colvars that have a value that lies in a particular interval
highest scalar HIGHEST the largest of the colvars
lowest scalar LOWEST the smallest of the colvars
sum scalar SUM the sum of the colvars
mean scalar MEAN the mean of the colvars
_vmean scalar VMEAN the norm of the mean vector
_vsum scalar VSUM the norm of the mean vector

Input

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

Keyword Type Description
SPECIES atoms the list of atoms for which the symmetry function is being calculated and the atoms that can be in the environments
SPECIESA atoms the list of atoms for which the symmetry function is being calculated
SPECIESB atoms the list of atoms that can be in the environments of each of the atoms for which the symmetry function is being calculated

Further details and examples

Text from manual goes here

References

More information about how this action can be used is available in the following articles:

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</html](http://dx.doi.org/https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.99.215701) ## Syntax The following table describes the [keywords and options](/plumed-manual/new-manual/parsing.html) that can be used with this action | Keyword | Type | Default | Description | |:-------|:----:|:-------:|:-----------| | SPECIES | input | none | the list of atoms for which the symmetry function is being calculated and the atoms that can be in the environments | | SPECIESA | input | none | the list of atoms for which the symmetry function is being calculated | | SPECIESB | input | none | the list of atoms that can be in the environments of each of the atoms for which the symmetry function is being calculated | | NN | compulsory | 6 | The n parameter of the switching function | | MM | compulsory | 0 | The m parameter of the switching function; 0 implies 2*NN | | D_0 | compulsory | 0.0 | The d_0 parameter of the switching function | | R_0 | compulsory | none | The r_0 parameter of the switching function | | PLANE | compulsory | none | the plane to use when calculating the value of the order parameter should be xy, xz or yz | | SWITCH | optional | not used | the switching function that it used in the construction of the contact matrix. Options for this keyword are explained in the documentation for [LESS_THAN](/plumed-manual/new-manual/LESS_THAN.html). | | LESS_THAN | optional | not used | calculate the number of variables that are less than a certain target value. Options for this keyword are explained in the documentation for [LESS_THAN](/plumed-manual/new-manual/LESS_THAN.html). | | MORE_THAN | optional | not used | calculate the number of variables that are more than a certain target value. Options for this keyword are explained in the documentation for [MORE_THAN](/plumed-manual/new-manual/MORE_THAN.html). | | ALT_MIN | optional | not used | calculate the minimum value | | MIN | optional | not used | calculate the minimum value | | MAX | optional | not used | calculate the maximum value | | BETWEEN | optional | not used | calculate the number of values that are within a certain range. Options for this keyword are explained in the documentation for [BETWEEN](/plumed-manual/new-manual/BETWEEN.html). | | HIGHEST | optional | false | this flag allows you to recover the highest of these variables | | HISTOGRAM | optional | not used | calculate a discretized histogram of the distribution of values | | LOWEST | optional | false | this flag allows you to recover the lowest of these variables | | SUM | optional | false | calculate the sum of all the quantities | | MEAN | optional | false | calculate the mean of all the quantities | | VMEAN | optional | false | calculate the norm of the mean vector | | VSUM | optional | false | calculate the norm of the sum of all the vectors |