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You can connect them indirectly: ASE supports OCRA and dpdata supports loading from ASE atoms. |
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Thank you very much！ |
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Hello, I would like to ask you another question. I used ORCA software to do QMMM calculations and got the corresponding atomic type and coordinates of the system（xyz）. Should I convert this data to ASE traj format or another format? Or what format do I want to convert the ORCAR software output log file to ASE? |
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I used ORCA software to do calculations before, and I want to use it in combination with DeepMD in the future. Can these two kinds of software connect?
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