On Thu, 15 May 2008, ?lvaro Alves wrote: AA> Hello everyone. Is there a limit to the definition of
hello alvaro, AA> different atomic species for the same type atomic. For AA> example, N1 N2, N2, N4. I need this procedure for AA> several atomic type (N, O, C). yes. the parameter ntypx determins the maximum number of atom type entries. it is set in Modules/parameters.f90 and the default value is 10. cheers, axel. AA> AA> Sincerely, Alvaro AA> AA> AA> Abra sua conta no Yahoo! Mail, o ?nico sem limite de espa?o para armazenamento! AA> http://br.mail.yahoo.com/ AA> _______________________________________________ AA> Pw_forum mailing list AA> Pw_forum at pwscf.org AA> http://www.democritos.it/mailman/listinfo/pw_forum AA> -- ======================================================================= Axel Kohlmeyer akohlmey at cmm.chem.upenn.edu http://www.cmm.upenn.edu Center for Molecular Modeling -- University of Pennsylvania Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323 tel: 1-215-898-1582, fax: 1-215-573-6233, office-tel: 1-215-898-5425 ======================================================================= If you make something idiot-proof, the universe creates a better idiot.
