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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 | 116 | 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-- | 509 | __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-- | 71,092 | atoms.py |
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- | rw-r--r-- | 24,284 | autoneb.py |
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- | rw-r--r-- | 11,874 | cell.py |
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- | rw-r--r-- | 100,273 | constraints.py |
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- | rw-r--r-- | 897 | dependencies.py |
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- | rw-r--r-- | 45,092 | 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-- | 46,445 | neb.py |
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- | rw-r--r-- | 43,422 | neighborlist.py |
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- | rw-r--r-- | 4,370 | nomad.py |
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- | rw-r--r-- | 5,273 | outputs.py |
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- | rw-r--r-- | 9,644 | parallel.py |
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- | rw-r--r-- | 26,838 | phasediagram.py |
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- | rw-r--r-- | 29,031 | phonons.py |
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- | rw-r--r-- | 8,094 | quaternions.py |
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- | rw-r--r-- | 2,187 | stress.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-- | 7,964 | units.py |