Sam Walsworth

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Questions related from Sam Walsworth

DDI issues on linux?

Hello all I'm currently testing a build of GAMESS-US on a linux box when I get this error: Distributed Data Interface kickoff program. Initiating 1 compute processes on 1 nodes to run the...

10 February 2021 6,184 0 View

Using stuttgart ECP basis sets on GAMESS-US?

Hello Have people successfully ran equilibrium geometry and vibrational calculations on GAMESS-US using the stuttgart 1997 (RSC and/or RLC) basis set? Does it require being externally loaded in?...

03 February 2021 7,728 0 View