TS optimization

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10 months 1 week ago #635 by pradeep
TS optimization was created by pradeep
What is the keyword in the input file for transition state optimization?

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10 months 1 week ago #638 by kallay
Replied by kallay on topic TS optimization
Unfortunately, it is currently not implemented.

Best regards,
Mihaly Kallay
The following user(s) said Thank You: pradeep

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3 months 2 weeks ago #705 by houqq
Replied by houqq on topic TS optimization
Hi,

I suggest you could use a eXternal OPTimizer which called xopt: https://github.com/hokru/xopt

This xopt can do a TS optimization by any other QC code.

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