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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 | 108 | mep |
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d | rwxr-xr-x | 4,096 | optimize |
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d | rwxr-xr-x | 136 | spacegroup |
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d | rwxr-xr-x | 88 | 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-- | 400 | __init__.py |
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- | rw-r--r-- | 38 | __main__.py |
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- | rw-r--r-- | 6,651 | atom.py |
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- | rw-r--r-- | 73,899 | atoms.py |
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- | rw-r--r-- | 431 | autoneb.py |
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- | rw-r--r-- | 12,712 | cell.py |
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- | rw-r--r-- | 8,176 | codes.py |
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- | rw-r--r-- | 4,435 | config.py |
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- | rw-r--r-- | 90,426 | constraints.py |
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- | rw-r--r-- | 1,020 | dependencies.py |
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- | rw-r--r-- | 1,221 | dimer.py |
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- | rw-r--r-- | 416 | dyneb.py |
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- | rw-r--r-- | 13,793 | eos.py |
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- | rw-r--r-- | 32,765 | filters.py |
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- | rw-r--r-- | 16,769 | formula.py |
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- | rw-r--r-- | 1,466 | neb.py |
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- | rw-r--r-- | 46,074 | neighborlist.py |
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- | rw-r--r-- | 4,356 | nomad.py |
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- | rw-r--r-- | 5,666 | outputs.py |
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- | rw-r--r-- | 10,349 | parallel.py |
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- | rw-r--r-- | 27,331 | phasediagram.py |
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- | rw-r--r-- | 34,000 | phonons.py |
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- | rw-r--r-- | 30,638 | pourbaix.py |
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- | rw-r--r-- | 0 | py.typed |
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- | rw-r--r-- | 7,709 | quaternions.py |
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- | rw-r--r-- | 3,252 | stress.py |
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- | rw-r--r-- | 6,250 | symbols.py |
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- | rw-r--r-- | 31,262 | thermochemistry.py |
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- | rw-r--r-- | 9,038 | units.py |