Package schrodinger :: Package application :: Package matsci :: Package nano :: Module sheet

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Module sheet

Classes and functions for making honeycomb nanosheets.

Copyright Schrodinger, LLC. All rights reserved.

Classes

CheckInput
Check user input.

SymmetryEquiv
Manage symmetry equivalent positions in the unit cell.

HoneycombUnitCell
Create a unit cell of a honeycomb lattice.

NeighborType
Manage the properties of a neighbor type.

Grow
Manage the details of how to attach cells to the lattice of the desired shape.

HoneycombCell
Manage cells in the honeycomb lattice.

HoneycombLattice
Create the honeycomb lattice according to the following coordinate system:

HoneycombBilayers
Create honeycomb bilayers.

NanoSheets
Main class for making nanosheets.

Functions

schrodinger.structure.Structure

build_cell(astructure, terminatingatoms, atomic_number1, atomic_number2, bondlength, no_bonding_along=None)
Build the cell.

Variables

__doc__ = ...

_version = '$Revision 0.0 $'

__package__ = 'schrodinger.application.matsci.nano'

Function Details

build_cell(astructure, terminatingatoms, atomic_number1, atomic_number2, bondlength, no_bonding_along=None)

Build the cell.

Parameters:

astructure (schrodinger.structure.Structure) - the structure for which to build the cell
terminatingatoms (list) - the terminating atoms for which PBC bonds will be needed
atomic_number1 (int) - the atomic number of the first element
atomic_number2 (int) - the atomic number of the second element
bondlength (float) - the bond length
no_bonding_along (list or None) - contains the indices of the lattice vectors along which to not form bonds, indices are 0 (a-vector), 1 (b-vector), and 2 (c-vector), if None then [2] will be used which is the default for sheets

Returns: schrodinger.structure.Structure

the built cell

Variables Details

doc

Value:

"""
Classes and functions for making honeycomb nanosheets.

Copyright Schrodinger, LLC. All rights reserved."""