build
Full name: ase2sprkkr.ase.build
Description
This module contains routines for building materials.
Unlike ase2sprkkr.sprkkr.build
, this module contains generic
routines, possible usable with plain ASE (with any calculator).
Functions
|
Multiply (repeat) the atoms in the same way as atoms __mult__ operator. |
|
Flip the atoms around plane perpendicular to the given vector (if vector is given) or axis (identified by an integer) |
|
Flip the atoms in given axis around given point (or site) so that the point/site will be the most distant from origin of all the sites. |
|
Rotate the atoms according the given Miller coordinates. |
|
Shift the atoms (to get the desired atom to the top/bottom of the cell). |
|
Stack (concatenate) the atoms objects along given axis |