|
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da7d214ab6
|
SiH3
|
2019-04-05 10:46:03 +02:00 |
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|
|
25322128fa
|
v5z
|
2019-04-05 09:54:46 +02:00 |
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|
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2d8a5b1ed5
|
aug
|
2019-04-05 09:54:06 +02:00 |
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|
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869c8899be
|
v5z and others
|
2019-04-05 09:50:55 +02:00 |
|
|
|
ca128a0e6d
|
data
|
2019-04-04 11:10:45 +02:00 |
|
Emmanuel Giner
|
c05a355335
|
pouet
|
2019-04-02 18:20:10 +02:00 |
|
eginer
|
e5036cbbfc
|
updated
|
2019-04-02 14:15:35 +02:00 |
|
eginer
|
94de9393e0
|
added Li2.out BeH.out LiH.out Na2.out for mixed core in vqz
|
2019-04-02 12:28:53 +02:00 |
|
eginer
|
d94e8e09b1
|
updated G09 data
|
2019-04-02 11:16:28 +02:00 |
|
|
|
78025c4826
|
vqz
|
2019-04-02 09:22:30 +02:00 |
|
|
|
13831505c6
|
diatomics
|
2019-04-01 22:37:17 +02:00 |
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|
|
0df01ae137
|
C2
|
2019-04-01 22:35:49 +02:00 |
|
|
|
dacf1b8d7e
|
G09/Small_core/Molecules
|
2019-04-01 14:54:35 +02:00 |
|
|
|
9e5e13ae0d
|
G09/Small_core/Atoms
|
2019-04-01 14:51:46 +02:00 |
|
|
|
e1939a3897
|
G09/Large_core/Atoms/v5z
|
2019-04-01 14:49:14 +02:00 |
|
|
|
0dbdc032c1
|
N2 and O2
|
2019-04-01 14:47:40 +02:00 |
|
|
|
12a2384d5c
|
v5z
|
2019-04-01 13:38:24 +02:00 |
|
|
|
2f9f38a7d5
|
atoms
|
2019-04-01 13:29:55 +02:00 |
|
|
|
376a7d1e9b
|
Mixed core
|
2019-04-01 12:09:35 +02:00 |
|
Emmanuel Giner
|
7c18cfb653
|
updated manuscript
|
2019-04-01 11:49:21 +02:00 |
|
Emmanuel Giner
|
b75a64e6ea
|
added get_cc.sh
|
2019-04-01 11:25:54 +02:00 |
|
|
|
de88456a86
|
LC VQZ G2
|
2019-04-01 09:40:22 +02:00 |
|
|
|
092bb491c4
|
O2 and N2
|
2019-04-01 09:37:36 +02:00 |
|
|
|
d77728c36e
|
SC At VQZ
|
2019-03-29 20:00:57 +01:00 |
|
|
|
88fb89e88b
|
LC At VQZ
|
2019-03-29 16:37:51 +01:00 |
|
eginer
|
429b6f404d
|
re-added Large_core
|
2019-03-28 15:06:14 +01:00 |
|
Emmanuel Giner
|
99487da7ac
|
extracted data for Small core CC/HF G09
|
2019-03-28 00:27:01 +01:00 |
|
Emmanuel Giner
|
afbbf3f1bc
|
added Small core data CC
|
2019-03-28 00:25:00 +01:00 |
|
Emmanuel Giner
|
1ceb42d8bf
|
moved the Large_core data in an other folder
|
2019-03-27 13:39:18 +01:00 |
|
|
|
5715e3de12
|
atoms for small cores
|
2019-03-27 13:22:37 +01:00 |
|
Emmanuel Giner
|
f1e4015e88
|
produced total energies in vdz and vtz for g09
|
2019-03-27 11:46:26 +01:00 |
|
|
|
e3dced28a5
|
CCSD(T)
|
2019-03-27 11:25:55 +01:00 |
|
