atomate2.vasp.flows.adsorptionΒΆ
Flow for calculating surface adsorption energies.
Classes
Workflow that calculates the adsorption energy of a molecule on a surface. |
|
bool(x) -> bool |
Flow for calculating surface adsorption energies.
Classes
Workflow that calculates the adsorption energy of a molecule on a surface. |
|
bool(x) -> bool |