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    ac156a04
    Revert "avoid atan2(0.0, 0.0) in Dihedral::SetAngleICS" · ac156a04
    Studer Gabriel authored
    This reverts commit 9153648f.
    
    The intention of this commit was to fix potential issues when operating on a
    dihedral connecting 4 atoms where at least 3 atoms are exactly on a line.
    Dihedrals are ill defined in this case but "expected behaviour"
    (whatever that means) is tested as a unit test.
    A fail was observed in two cases. First case that triggered commit
    9153648f, second case that showed that the
    problem is not solved. Therefore reverting to original state in order to find
    different solution.
    ac156a04
    History
    Revert "avoid atan2(0.0, 0.0) in Dihedral::SetAngleICS"
    Studer Gabriel authored
    This reverts commit 9153648f.
    
    The intention of this commit was to fix potential issues when operating on a
    dihedral connecting 4 atoms where at least 3 atoms are exactly on a line.
    Dihedrals are ill defined in this case but "expected behaviour"
    (whatever that means) is tested as a unit test.
    A fail was observed in two cases. First case that triggered commit
    9153648f, second case that showed that the
    problem is not solved. Therefore reverting to original state in order to find
    different solution.