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TDDynamics
TDDynamics
Section Time-Dependent::Propagation
Type integer
Default ehrenfest
Type of dynamics to follow during a time propagation.
For BO, you must set MoveIons = yes.
Options:
- ehrenfest:
Ehrenfest dynamics.
- bo:
Born-Oppenheimer (Experimental).
Source information
td/td.F90 : 279
call parse_variable(namespace, 'TDDynamics', EHRENFEST, td%dynamics)