[molpro-user] Can Molpro print test to a specified external file?

Dr Seth OLSEN s.olsen1 at uq.edu.au
Thu Nov 25 01:03:44 GMT 2004

Dear Molpro-Users,

Is there a way to get molpro to print TEXT commands to an external file (for example, z-matrix variables in molpro readable form), to be in such a way that they can be incorporated in a restarted job using an INCLUDE directive?




Dr Seth Olsen, PhD
Postdoctoral Fellow, Computational Systems Biology Group
Centre for Computational Molecular Science
Chemistry Building,
The University of Queensland
Qld 4072, Brisbane, Australia

tel (617) 33653732
fax (617) 33654623
email: s.olsen1 at uq.edu.au
Web: www.ccms.uq.edu.au 


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