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Copy file name to clipboardExpand all lines: src/content/index.httkweb
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@@ -63,15 +63,15 @@ Loading a ``.cif`` file directly into an httk₂ ``Structure`` object is still u
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Create structures in code
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In httk₂, a ``Structure`` is created from an explicit basis, a list of sites in reduced coordinates, a list of species (given as OPTIMADE-style species dictionaries), and a per-site list naming the species at each site. Here is a conventional cubic rock-salt (NaCl) cell:
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In httk₂, a ``Structure`` is created from an explicit cell, a list of sites in reduced coordinates, a list of species (given as OPTIMADE-style species dictionaries), and a per-site list naming the species at each site. Here is a conventional cubic rock-salt (NaCl) cell:
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.. code:: python
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from httk.atomistic import Structure, StructurePrimitiveView
Copy file name to clipboardExpand all lines: src/content/quickstart-structures.httkweb
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Create structures in code
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In httk₂, a ``Structure`` is created from an explicit basis, a list of sites in reduced coordinates, a list of species (given as OPTIMADE-style species dictionaries), and a per-site list naming the species at each site. Here is a conventional cubic rock-salt (NaCl) cell:
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In httk₂, a ``Structure`` is created from an explicit cell, a list of sites in reduced coordinates, a list of species (given as OPTIMADE-style species dictionaries), and a per-site list naming the species at each site. Here is a conventional cubic rock-salt (NaCl) cell:
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.. code:: python
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from httk.atomistic import Structure, StructurePrimitiveView
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