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https://github.com/triqs/dft_tools
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4c18c6e09c
Parsing of two optional parameters (BASENAME and EFERMI) from section [General] from the config-file is implemented. If this section is not found the parameters are set to their default values, which is 'vasp' for BASENAME and nothing for EFERMI. Appropriate test is added to the 'inpconf' test suite.
32 lines
322 B
INI
32 lines
322 B
INI
[General]
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BASENAME = test_base
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EFERMI = 0.1
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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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[Group 2]
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SHELLS = 3
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EMIN = -1.6
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EMAX = 2.0
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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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