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MOPAC interface

Standalone interface to MOPAC2009 replacing the respective metainterface.

Methods

The interface supports multiple semiempirical methods implemented in MOPAC (selected by the method keyword):

Examples

mopac_setpi keyword - define double bonds between atoms 1,2 and 5,10

mopac_setpi:
  - 1;2
  - 5;10

Keywords