matscipy.calculators
Modules
Implements the Committee (of Models) approach. |
|
Implements the Embedded Atom Method |
|
Helper routines for potential fitting |
|
Run calculation on a supercell of the atomic structure. |
Modules
Implements the Committee (of Models) approach. |
|
Implements the Embedded Atom Method |
|
Helper routines for potential fitting |
|
Run calculation on a supercell of the atomic structure. |