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Tyberius
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I want to run multiple jobs on Gaussian using windows. I know it is possible to do so on LINUXLinux. But can we perform a loop in Gaussian with WINDOWSWindows?

In my calculation, I need to use the optimized geometry of geom1.log as a starting point for geom2.gjf, but sometimes I need to perform a second optimization on geom1.log and add keywords in the .gjf file to attend the convergence. When using a loop on Linux, how can I know that the software is using the converged geometry without stoping the calculation? Do I need to add a convergence condition?

Can you suggest books on using scripts with Gaussian?

I want to run multiple jobs on Gaussian using windows. I know it is possible to do so on LINUX. But can we perform a loop in Gaussian with WINDOWS?

In my calculation, I need to use the optimized geometry of geom1.log as a starting point for geom2.gjf, but sometimes I need to perform a second optimization on geom1.log and add keywords in the .gjf file to attend the convergence. When using a loop on Linux, how can I know that the software is using the converged geometry without stoping the calculation? Do I need to add a convergence condition?

Can you suggest books on using scripts with Gaussian?

I want to run multiple jobs on Gaussian using windows. I know it is possible to do so on Linux. But can we perform a loop in Gaussian with Windows?

In my calculation, I need to use the optimized geometry of geom1.log as a starting point for geom2.gjf, but sometimes I need to perform a second optimization on geom1.log and add keywords in the .gjf file to attend the convergence.

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sarra6
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Loop calculation in Gaussian

I want to run multiple jobs on Gaussian using windows. I know it is possible to do so on LINUX. But can we perform a loop in Gaussian with WINDOWS?

In my calculation, I need to use the optimized geometry of geom1.log as a starting point for geom2.gjf, but sometimes I need to perform a second optimization on geom1.log and add keywords in the .gjf file to attend the convergence. When using a loop on Linux, how can I know that the software is using the converged geometry without stoping the calculation? Do I need to add a convergence condition?

Can you suggest books on using scripts with Gaussian?