dpdata label system read ase db file#115
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jwz360 wants to merge 6 commits intodeepmodeling:develfrom
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njzjz
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Sep 10, 2020
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You need to add dpdata/ase under this line
Lines 27 to 40 in f150dd1
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documentation and unittest are required. |
njzjz
requested changes
Oct 9, 2020
| 'dpdata/fhi_aims', | ||
| 'dpdata/gromacs'], | ||
| 'dpdata/gromacs', | ||
| 'dpdata/ase' |
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You need to use another directory name instead of ase, otherwise it will be conflict with the ase package when you import ase package in this directory.
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Your change to the code should be based on branch "devel" rather than master. we do not want to merge some of changes on master into devel |
njzjz
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Jul 9, 2021
continue on deepmodeling#115
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convert ase db to dpdata label system