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Update README.md for recommendation of using cp2kdata (#537)
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robinzyb authored Sep 8, 2023
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6 changes: 4 additions & 2 deletions README.md
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Expand Up @@ -74,8 +74,10 @@ The `System` or `LabeledSystem` can be constructed from the following file forma
| gaussian| log | True | True | LabeledSystem | 'gaussian/md' |
| siesta | output | False | True | LabeledSystem | 'siesta/output'|
| siesta | aimd_output | True | True | LabeledSystem | 'siesta/aimd_output' |
| cp2k | output | False | True | LabeledSystem | 'cp2k/output' |
| cp2k | aimd_output | True | True | LabeledSystem | 'cp2k/aimd_output' |
| cp2k(deprecated in future) | output | False | True | LabeledSystem | 'cp2k/output' |
| cp2k(deprecated in future) | aimd_output | True | True | LabeledSystem | 'cp2k/aimd_output' |
| cp2k([plug-in](https://github.com/robinzyb/cp2kdata#plug-in-for-dpdata)) | stdout | False | True | LabeledSystem | 'cp2kdata/e_f' |
| cp2k([plug-in](https://github.com/robinzyb/cp2kdata#plug-in-for-dpdata)) | stdout | True | True | LabeledSystem | 'cp2kdata/md' |
| QE | log | False | True | LabeledSystem | 'qe/pw/scf' |
| QE | log | True | False | System | 'qe/cp/traj' |
| QE | log | True | True | LabeledSystem | 'qe/cp/traj' |
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