eginer
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94de9393e0
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added Li2.out BeH.out LiH.out Na2.out for mixed core in vqz
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2019-04-02 12:28:53 +02:00 |
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eginer
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d94e8e09b1
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updated G09 data
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2019-04-02 11:16:28 +02:00 |
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78025c4826
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vqz
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2019-04-02 09:22:30 +02:00 |
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13831505c6
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diatomics
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2019-04-01 22:37:17 +02:00 |
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0df01ae137
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C2
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2019-04-01 22:35:49 +02:00 |
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dacf1b8d7e
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G09/Small_core/Molecules
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2019-04-01 14:54:35 +02:00 |
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9e5e13ae0d
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G09/Small_core/Atoms
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2019-04-01 14:51:46 +02:00 |
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e1939a3897
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G09/Large_core/Atoms/v5z
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2019-04-01 14:49:14 +02:00 |
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0dbdc032c1
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N2 and O2
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2019-04-01 14:47:40 +02:00 |
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12a2384d5c
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v5z
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2019-04-01 13:38:24 +02:00 |
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2f9f38a7d5
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atoms
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2019-04-01 13:29:55 +02:00 |
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376a7d1e9b
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Mixed core
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2019-04-01 12:09:35 +02:00 |
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de88456a86
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LC VQZ G2
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2019-04-01 09:40:22 +02:00 |
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092bb491c4
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O2 and N2
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2019-04-01 09:37:36 +02:00 |
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d77728c36e
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SC At VQZ
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2019-03-29 20:00:57 +01:00 |
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88fb89e88b
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LC At VQZ
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2019-03-29 16:37:51 +01:00 |
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eginer
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429b6f404d
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re-added Large_core
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2019-03-28 15:06:14 +01:00 |
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Emmanuel Giner
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99487da7ac
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extracted data for Small core CC/HF G09
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2019-03-28 00:27:01 +01:00 |
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Emmanuel Giner
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afbbf3f1bc
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added Small core data CC
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2019-03-28 00:25:00 +01:00 |
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Emmanuel Giner
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1ceb42d8bf
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moved the Large_core data in an other folder
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2019-03-27 13:39:18 +01:00 |
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5715e3de12
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atoms for small cores
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2019-03-27 13:22:37 +01:00 |
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Emmanuel Giner
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f1e4015e88
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produced total energies in vdz and vtz for g09
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2019-03-27 11:46:26 +01:00 |
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e3dced28a5
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CCSD(T)
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2019-03-27 11:25:55 +01:00 |
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