basis lib update

Kirk Peterson ng570 at
Fri Jun 21 02:24:15 BST 2002

Dear Liu,

just putting your library in does not make your basis set
recognized as a default basis, i.e.,


will not work. You have to either define
it in the file defbas in this same directory, or in your
input file specify your basis like the following:


best wishes,


> Dear Molproers,
> I inserted some new basis sets into the basis lib
> and then type 'gmake' under lib subdirectory
> gmake[1]: Entering directory `/home/export/lwj/molpro/molpro2000.5/utilities'
> gmake[1]: `libmol' is up to date.
> gmake[1]: Leaving directory `/home/export/lwj/molpro/molpro2000.5/utilities'
> Basis library indexed successfully
> but still the new basis could not be read in
> can anybody tell me how to proceed ?
> all the best
> Wenjian


Kirk A. Peterson
Associate Professor              Affiliate Senior Research Scientist
Department of Chemistry     &    Theory, Modeling, and Simulation
2710 University Dr.              Environmental Molecular Sciences Laboratory
Washington State University      Pacific Northwest National Laboratory
Richland, WA 99352               P.O. Box 999, Mail Stop K8-91

Office: (509) 376-2023, (509) 372-7282
Fax:    (509) 376-0420
kirk.peterson at

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