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fixup! Updated documentation with auto-rotor-symmetry determination
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alongd committed Jan 19, 2019
1 parent 9eb6000 commit 7c488c5
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2 changes: 1 addition & 1 deletion documentation/source/users/arkane/input.rst
Original file line number Diff line number Diff line change
Expand Up @@ -307,7 +307,7 @@ scan in the following format::
The ``Energy`` can be in units of ``kJ/mol``, ``J/mol``, ``cal/mol``, ``kcal/mol``, ``cm^-1`` or ``hartree``.

The ``symmetry`` parameter will usually equal either 1, 2 or 3. It could be determined automatically by Arkane
(by simple not specifying it altogether), however it is always better to explicitly specify it if it is known. If it is
(by simply not specifying it altogether), however it is always better to explicitly specify it if it is known. If it is
determined by Arkane, the log file will specify the determined value and what it was based on. Below are examples of
internal rotor scans with these commonly encountered symmetry numbers. First, ``symmetry = 3``:

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2 changes: 1 addition & 1 deletion documentation/source/users/arkane/input_pdep.rst
Original file line number Diff line number Diff line change
Expand Up @@ -352,7 +352,7 @@ scan in the following format::
The ``Energy`` can be in units of ``kJ/mol``, ``J/mol``, ``cal/mol``, ``kcal/mol``, ``cm^-1`` or ``hartree``.

The ``symmetry`` parameter will usually equal either 1, 2 or 3. It could be determined automatically by Arkane
(by simple not specifying it altogether), however it is always better to explicitly specify it if it is known. If it is
(by simply not specifying it altogether), however it is always better to explicitly specify it if it is known. If it is
determined by Arkane, the log file will specify the determined value and what it was based on. Below are examples of
internal rotor scans with these commonly encountered symmetry numbers. First, ``symmetry = 3``:

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