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TS optimization
- pradeep
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6 years 2 days 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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- kallay
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- Mihaly Kallay
6 years 2 days ago #638
by kallay
Best regards,
Mihaly 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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- houqq
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5 years 5 months ago #705
by houqq
Replied by houqq on topic TS optimization
Hi,
I suggest you could use a eXternal OPTimizer which called xopt: github.com/hokru/xopt
This xopt can do a TS optimization by any other QC code.
I suggest you could use a eXternal OPTimizer which called xopt: github.com/hokru/xopt
This xopt can do a TS optimization by any other QC code.
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