OptParams
- class optking.optparams.OptParams(uod)[source]
Bases:
object
Attributes Summary
Methods Summary
from_internal_dict
(params)Assumes that params does not use the input key and syntax, but uses the internal names and internal syntax.
updateDynamicLevelParameters
(run_level)Attributes Documentation
- frag_mode
- g_convergence
- hess_update
- intrafrag_hess
- irc_direction
- opt_coordinates
- opt_type
- step_type
Methods Documentation