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d | rwxr-xr-x | 4,096 | build |
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d | rwxr-xr-x | 4,096 | calculators |
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d | rwxr-xr-x | 4,096 | cli |
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d | rwxr-xr-x | 4,096 | cluster |
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d | rwxr-xr-x | 134 | collections |
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d | rwxr-xr-x | 4,096 | data |
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d | rwxr-xr-x | 4,096 | db |
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d | rwxr-xr-x | 4,096 | dft |
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d | rwxr-xr-x | 4,096 | ga |
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d | rwxr-xr-x | 4,096 | geometry |
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d | rwxr-xr-x | 4,096 | gui |
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d | rwxr-xr-x | 4,096 | io |
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d | rwxr-xr-x | 4,096 | lattice |
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d | rwxr-xr-x | 4,096 | md |
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d | rwxr-xr-x | 4,096 | optimize |
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d | rwxr-xr-x | 4,096 | spacegroup |
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d | rwxr-xr-x | 108 | spectrum |
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d | rwxr-xr-x | 4,096 | test |
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d | rwxr-xr-x | 144 | transport |
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d | rwxr-xr-x | 4,096 | utils |
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d | rwxr-xr-x | 4,096 | vibrations |
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d | rwxr-xr-x | 4,096 | visualize |
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- | rw-r--r-- | 710 | __init__.py |
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- | rw-r--r-- | 37 | __main__.py |
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- | rw-r--r-- | 6,663 | atom.py |
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- | rw-r--r-- | 71,247 | atoms.py |
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- | rw-r--r-- | 24,286 | autoneb.py |
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- | rw-r--r-- | 11,857 | cell.py |
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- | rw-r--r-- | 101,942 | constraints.py |
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- | rw-r--r-- | 888 | dependencies.py |
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- | rw-r--r-- | 45,359 | dimer.py |
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- | rw-r--r-- | 149 | dyneb.py |
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- | rw-r--r-- | 13,735 | eos.py |
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- | rw-r--r-- | 14,444 | formula.py |
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- | rw-r--r-- | 33,693 | neb.py |
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- | rw-r--r-- | 43,424 | neighborlist.py |
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- | rw-r--r-- | 4,370 | nomad.py |
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- | rw-r--r-- | 5,274 | outputs.py |
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- | rw-r--r-- | 9,592 | parallel.py |
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- | rw-r--r-- | 26,830 | phasediagram.py |
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- | rw-r--r-- | 29,555 | phonons.py |
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- | rw-r--r-- | 8,092 | quaternions.py |
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- | rw-r--r-- | 173 | structure.py |
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- | rw-r--r-- | 5,607 | symbols.py |
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- | rw-r--r-- | 28,568 | thermochemistry.py |
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- | rw-r--r-- | 7,968 | units.py |