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Folder: tutorials
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d | rwxr-xr-x | 57 | acn_equil |
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d | rwxr-xr-x | 81 | constraints |
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d | rwxr-xr-x | 113 | db |
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d | rwxr-xr-x | 109 | defects |
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d | rwxr-xr-x | 115 | deltacodesdft |
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d | rwxr-xr-x | 94 | dimensionality |
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d | rwxr-xr-x | 81 | eos |
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d | rwxr-xr-x | 4,096 | ga |
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d | rwxr-xr-x | 111 | md |
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d | rwxr-xr-x | 111 | minimahopping |
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d | rwxr-xr-x | 4,096 | neb |
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d | rwxr-xr-x | 54 | qmmm |
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d | rwxr-xr-x | 127 | selfdiffusion |
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d | rwxr-xr-x | 61 | tipnp_equil |
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d | rwxr-xr-x | 35 | tut03_vibrations |
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d | rwxr-xr-x | 52 | tut06_database |
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d | rwxr-xr-x | 4,096 | wannier |
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- | rw-r--r-- | 468 | N2.py |
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- | rw-r--r-- | 1,274 | N2Cu-Dissociation1.py |
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- | rw-r--r-- | 948 | N2Cu-Dissociation2.py |
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- | rw-r--r-- | 1,267 | N2Ru-Dissociation1.py |
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- | rw-r--r-- | 744 | N2Ru-Dissociation2.py |
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- | rw-r--r-- | 765 | atomization.rst |
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- | rw-r--r-- | 994 | dissociation.rst |
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- | rw-r--r-- | 1,194 | lattice_constant.py |
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- | rw-r--r-- | 2,550 | lattice_constant.rst |
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- | rw-r--r-- | 2,962 | povray_isosurface_tutorial.py |
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- | rw-r--r-- | 2,036 | saving_graphics.py |
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- | rw-r--r-- | 714 | test.py |
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- | rw-r--r-- | 2,204 | tutorials.rst |