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missing abelian groups
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1 changed files with 4 additions and 2 deletions
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@ -10,9 +10,11 @@ c Return true if the point group of the geometry is abelian
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c
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character*8 group
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integer nab, ind
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parameter (nab = 8)
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parameter (nab = 18)
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character*4 ab(nab)
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data ab/ 'C1','Cs','Ci','C2','D2','C2v','C2h','D2h'/
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data ab/ 'C1','Cs','Ci','C2','D2','C2v','C2h','D2h',
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C 'C3','C4','C5','C6','C7','C8',
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C 'C3h','C4h','C5h','C6h'/
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c
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call sym_group_name(geom, group)
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c
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