atomate2.vasp.jobs.mdΒΆ
Module defining molecular dynamics jobs.
Functions
Collect output references of a multistep MD flow. |
Classes
Maker to create VASP molecular dynamics jobs. |
|
bool(x) -> bool |
Module defining molecular dynamics jobs.
Functions
Collect output references of a multistep MD flow. |
Classes
Maker to create VASP molecular dynamics jobs. |
|
bool(x) -> bool |