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A single-file test suite for 'inpconf.py' is split into several files, each containing a separate TestCase class. In addition, all test cases are derived from class ArrayTestCase (in turn derived from TestCase) which contains a numpy-array equality method.
25 lines
243 B
INI
25 lines
243 B
INI
[General]
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[Group 1]
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SHELLS = 1 2
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EMIN = -7.6
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EMAX = 3.0
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[Shell 1]
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LSHELL = 2
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IONS = 5..8
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[Shell 2]
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LSHELL = 1
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IONS = 1..4
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RTRANSFORM = 0.0 1.0 0.0
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1.0 0.0 0.0
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0.0 0.0 1.0
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[Shell 3]
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LSHELL = 3
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IONS = 1..4
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