Two close energy states
- From: Antonio Morreale <antonio.morreale ^at^
uah.es>
- Organization: Universidad de Alcalá de Henares
- Subject: Two close energy states
- Date: Tue, 11 Sep 2001 18:13:56 +0200
Dear all,
When doing some optimization, the energy values flutuates between two
close values alternatively. As far as I know, it seems like there are
two close energy states and the optimization algorithm is not able to
choose for one. Is there any way to solve this problem?
Thanks,
Antonio
--
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= Antonio Morreale =
= Departamento de Química Orgánica =
= Universidad de Alcalá =
= Ctra. Madrid-Barcelona Km. 33,600 =
= Alcalá de Henares =
= 28871 Madrid =
= Spain =
= Tlf. + 34 91 885 46 49 =
= Fax. + 34 91 885 46 86 =
= email: antonio.morreale ^at^ uah.es =
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