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where a large time gap lies between step 0 and step 1.
In my knowledge, step0 -> step1 is for Hessian calculation by finite difference method. However, the large time consuming without any log output here will make user perplexed, particularly for freshmen.
My suggestion is to output more running information in stdout or another logfile to make Sella more user-friendly.
Look forward for your reply.
The text was updated successfully, but these errors were encountered:
When using sella to locate TS, the common stdout of sella tend to be:
where a large time gap lies between step 0 and step 1.
In my knowledge, step0 -> step1 is for Hessian calculation by finite difference method. However, the large time consuming without any log output here will make user perplexed, particularly for freshmen.
My suggestion is to output more running information in stdout or another logfile to make Sella more user-friendly.
Look forward for your reply.
The text was updated successfully, but these errors were encountered: