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corrected gamess ECP data

This commit is contained in:
ChangMo Yang 2017-02-07 11:29:34 +09:00
parent f75d7a3da3
commit f4b23c56d4
20 changed files with 93 additions and 52491 deletions
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8020
pseudopotentials/BFD/B.BFD.gamess
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pseudopotentials/BFD/F.BFD.gamess
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pseudopotentials/BFD/H.BFD.gamess
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pseudopotentials/BFD/N.BFD.gamess
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pseudopotentials/BFD/Na.BFD.gamess
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pseudopotentials/BFD/Ne.BFD.gamess
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pseudopotentials/BFD/O.BFD.gamess
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pseudopotentials/BFD/P.BFD.gamess
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pseudopotentials/BFD/S.BFD.gamess
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pseudopotentials/BFD/Si.BFD.gamess
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pseudopotentials/BFD_meta/B.BFD.gamess.meta
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@ -1,7 +1,7 @@
meta_version = 0.1
file = B.BFD.gamess
md5 = f4bc091053bb258b88ccd1a11aadd5a1
md5 = 4dba9b255d25e47c20dfd42fe188581d
created = 2011-10-24 17:55:23
added = 2016-05-20 10:59:14
added = 2017-02-07 11:24:14
status = original

4
pseudopotentials/BFD_meta/F.BFD.gamess.meta
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meta_version = 0.1
file = F.BFD.gamess
md5 = 35e5e7340fc71f2cf87fc0b07c797f2d
md5 = 3bf25278625ed17087985edf4f5dca99
created = 2011-10-24 17:55:23
added = 2016-05-20 10:59:14
added = 2017-02-07 11:24:00
status = original

4
pseudopotentials/BFD_meta/H.BFD.gamess.meta
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meta_version = 0.1
file = H.BFD.gamess
md5 = cdd1975d599d8a3cc3144d28ed5af6e1
md5 = 5b3a2da8077a88636e0087be26f63964
created = 2011-10-24 17:55:23
added = 2016-05-20 10:59:15
added = 2017-02-07 11:24:00
status = original

4
pseudopotentials/BFD_meta/N.BFD.gamess.meta
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meta_version = 0.1
file = N.BFD.gamess
md5 = b356367bd38257a1480d52072d03f282
md5 = 1a6d7b29f497aab033bd886d7a3dd592
created = 2011-10-24 17:55:23
added = 2016-05-20 10:59:14
added = 2017-02-07 11:24:00
status = original

4
pseudopotentials/BFD_meta/Na.BFD.gamess.meta
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@ -1,7 +1,7 @@
meta_version = 0.1
file = Na.BFD.gamess
md5 = 83c7486c51ee39107e0d2e23bdd9eb29
md5 = a745e86e3650d6b1f09d10be61b1d506
created = 2011-10-24 17:55:23
added = 2016-05-20 10:59:14
added = 2017-02-07 11:24:14
status = original

4
pseudopotentials/BFD_meta/Ne.BFD.gamess.meta
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meta_version = 0.1
file = Ne.BFD.gamess
md5 = e91d3d982d402868709a3b6bf5648c7d
md5 = 3ec01fd94fbd5ee57bf44aa5a2910a31
created = 2011-10-24 17:55:23
added = 2016-05-20 10:59:14
added = 2017-02-07 11:24:00
status = original

4
pseudopotentials/BFD_meta/O.BFD.gamess.meta
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@ -1,7 +1,7 @@
meta_version = 0.1
file = O.BFD.gamess
md5 = 7da6e781e5af56586c1a1867799fb311
md5 = de45b23c19dbe925a491de244a68ef94
created = 2011-10-24 17:55:23
added = 2016-05-20 10:59:14
added = 2017-02-07 11:24:00
status = original

4
pseudopotentials/BFD_meta/P.BFD.gamess.meta
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meta_version = 0.1
file = P.BFD.gamess
md5 = 0957b892c690ba6675f74dd569966b89
md5 = 88c87866157205c71e69bb1233849e13
created = 2011-10-24 17:55:23
added = 2016-05-20 10:59:14
added = 2017-02-07 11:24:00
status = original

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pseudopotentials/BFD_meta/S.BFD.gamess.meta
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meta_version = 0.1
file = S.BFD.gamess
md5 = 32ed67f9eeb52413e643aee07dace43e
md5 = d8d370c5ae5d23596fb0d7f549e4fdf1
created = 2011-10-24 17:55:23
added = 2016-05-20 10:59:14
added = 2017-02-07 11:24:00
status = original

4
pseudopotentials/BFD_meta/Si.BFD.gamess.meta
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meta_version = 0.1
file = Si.BFD.gamess
md5 = 648f0ff6e7ee34b36578393000d3dd1a
md5 = a595ab1151c4a9d08081b61c85558616
created = 2011-10-24 17:55:23
added = 2016-05-20 10:59:14
added = 2017-02-07 11:24:00
status = original