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Bugfixes & expanded documentation

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@eljost eljost released this 24 Aug 11:38
5ed59df

Bugfixes

  • Added missing files for worked example of trispericyclic reaction in examples/complex/08_trispericyclic/
  • Initial displacement from TS using 3rd derivatives of the energy (displ: energy_cubic) should now be more reliable. The resulting HDF5 dump can be reused via the displ_third_h5: [path to hdf5] option (see the IRC documentation)

Miscellaneous