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Updated input files with atom labels

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This commit is contained in:
Anthony Scemama 2014-04-11 01:56:30 +02:00
parent 585eb90a77
commit 2f3c451a4e
211 changed files with 633 additions and 1266 deletions
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9
data/inputs/Al+.md5
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@ -6,15 +6,12 @@ a62103800a061f58b2b696f7c5119e54 Al+.ezfio/ao_basis/ao_num
ea33607dca68f44c74b4060a7eeff95f Al+.ezfio/ao_basis/ao_prim_num.gz
503018260a2f6fc8557fcf29300fa8bb Al+.ezfio/electrons/elec_alpha_num
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data/inputs/Al.md5
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@ -6,15 +6,12 @@ a62103800a061f58b2b696f7c5119e54 Al.ezfio/ao_basis/ao_num
d5e7ff32e3ac9f00c9486c6e7d2bff90 Al.ezfio/ao_basis/ao_prim_num.gz
4e94260b47ac90ce146cf693b6ea796f Al.ezfio/electrons/elec_alpha_num
503018260a2f6fc8557fcf29300fa8bb Al.ezfio/electrons/elec_beta_num
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data/inputs/AlCl.md5
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@ -6,15 +6,12 @@
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8d835c17bb93dc4b67ed4ec1d7197ffa AlCl.ezfio/electrons/elec_alpha_num
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data/inputs/AlH.md5
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data/inputs/AlH2.md5
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data/inputs/AlH3.md5
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@ -6,15 +6,12 @@
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data/inputs/B+.md5
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@ -6,15 +6,12 @@ fa533bf7574bba384b7c3e367411f24b B+.ezfio/ao_basis/ao_nucl.gz
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data/inputs/B.md5
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data/inputs/BCl.md5
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data/inputs/BH.md5
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data/inputs/BH2.md5
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data/inputs/BH3.md5
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