forked from lijiext/lammps
12 lines
498 B
Plaintext
12 lines
498 B
Plaintext
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# example for performing a query to the OpenKIM test database to retrieve
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# a parameter to be used in the input. here it requests the aluminium
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# lattice constant for a specific test used for a specific model and then
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# assigns it to the variable 'latconst'
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units metal
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info variables out log
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kim_query latconst get_test_result test=TE_156715955670 species=["Al"] model=MO_800509458712 prop=structure-cubic-crystal-npt keys=["a"] units=["angstrom"]
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info variables out log
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lattice fcc ${latconst}
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