Comments (3)
Could you please show the restart xyz and log file.
And do you think how to deal with this situlation is better?
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ch4.zip
As showing the restart log, cp2k run 6 steps including the initialized step(5th step), and it starts from 6th step in xyz file(only 5 steps).
I'm trying to solve this with skipping the first step in log file when a restart aimd output is detected.
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Fixed in #140
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