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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 | 86 | cli |
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d | rwxr-xr-x | 4,096 | cluster |
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d | rwxr-xr-x | 113 | 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 | 94 | 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 | 120 | spacegroup |
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d | rwxr-xr-x | 4,096 | test |
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d | rwxr-xr-x | 4,096 | transport |
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d | rwxr-xr-x | 4,096 | utils |
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d | rwxr-xr-x | 133 | vibrations |
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d | rwxr-xr-x | 144 | visualize |
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- | rw-r--r-- | 650 | __init__.py |
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- | rw-r--r-- | 6,328 | atom.py |
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- | rw-r--r-- | 61,650 | atoms.py |
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- | rw-r--r-- | 24,208 | autoneb.py |
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- | rw-r--r-- | 53,745 | constraints.py |
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- | rw-r--r-- | 45,709 | dimer.py |
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- | rw-r--r-- | 12,043 | eos.py |
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- | rw-r--r-- | 142 | infrared.py |
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- | rw-r--r-- | 21,761 | neb.py |
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- | rw-r--r-- | 6,354 | neighborlist.py |
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- | rw-r--r-- | 6,589 | parallel.py |
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- | rw-r--r-- | 24,438 | phasediagram.py |
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- | rw-r--r-- | 26,565 | phonons.py |
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- | rw-r--r-- | 5,346 | quaternions.py |
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- | rw-r--r-- | 173 | structure.py |
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- | rw-r--r-- | 28,608 | thermochemistry.py |
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- | rw-r--r-- | 6,279 | units.py |
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- | rw-r--r-- | 3,695 | xrdebye.py |