Questions regarding the graph.psmp tool

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tim huang

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Aug 22, 2021, 3:21:06 AM8/22/21

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Dear cp2k users and developers,

the graph.psmp tool seems to have problems to read the hill information from the restart file correctly, if there are multiple meta-COLVARs defined and the information of &SPAWNED_HILLS_POS are displayed in seperated lines. As shown in my plot, the potential energy surface have some hysteresis compared to the evolution of COLVARs.

Best regards,

Tim

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