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Update qp_convert_qmcpack_to_ezfio.py

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Fix too long gms  converter
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Thomas Applencourt 2018-06-14 15:29:52 -05:00 committed by GitHub
parent 318eb9bdae
commit 8a562b6b06
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1 changed files with 1 additions and 1 deletions
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plugins/QMC/qp_convert_qmcpack_to_ezfio.py
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@ -133,7 +133,7 @@ d_gms_order ={ 0:["s"],
1:[ "x", "y", "z" ],
2:[ "xx", "yy", "zz", "xy", "xz", "yz" ],
3:[ "xxx", "yyy", "zzz", "xxy", "xxz", "yyx", "yyz", "zzx", "zzy", "xyz"],
4: ["xxxx", "yyyy", "zzzz", "xxxy", "xxxz", "yyyx", "yyyz", "zzzx", "zzzy", "xxyy", "xxzz", "yyzz", "xxyz", "yyxz", "zzxy", "xxxx", "yyyy", "zzzz", "xxxy", "xxxz", "yyyx", "yyyz", "zzzx", "zzzy", "xxyy", "xxzz", "yyzz", "xxyz", "yyxz","zzxy"] }
4:[ "xxxx", "yyyy", "zzzz", "xxxy", "xxxz", "yyyx", "yyyz", "zzzx", "zzzy", "xxyy", "xxzz", "yyzz", "xxyz", "yyxz", "zzxy"] }
def compare_gamess_style(item1, item2):
n1,n2 = map(len,(item1,item2))