Commit Graph

79 Commits

Author SHA1 Message Date
d43902953a little update SF-ADC2-X 2021-03-18 17:18:10 +01:00
36695e97ee update notebook 2021-03-18 15:04:15 +01:00
6ba5275df1 output toto 2021-03-17 18:13:16 +01:00
3f3edd2efe input D4h 2021-03-15 14:30:41 +01:00
88476360b1 SF-ADC2-X little update 2021-03-15 13:27:40 +01:00
8d57088752 SF-CIS(D) AVDZ 2021-03-10 11:07:12 +01:00
3d16d414cb SF-CIS(D) first basis 2021-03-10 10:56:58 +01:00
04b4fd9a3b B2PLYP 2021-03-03 08:36:07 +01:00
e024ba8890 results SF-TDDFT 2021-03-02 16:40:19 +01:00
47046bd456 results SF-TDDFT 2021-03-02 16:38:46 +01:00
56618611f1 SF-TDDFT CBD 2021-03-01 16:10:06 +01:00
2c69b6f367 nb 2021-02-28 21:25:21 +01:00
ca4107bdbf input and ouput CBD 2021-02-11 21:58:22 +01:00
d2dd1d1c3f input and output 2021-02-08 15:47:19 +01:00
815a2151e5 EOM-SF-CC_2_3 AVDZ 2021-02-08 08:06:51 +01:00
3518fdf8cf SF-ADC 2021-02-07 21:28:25 +01:00
df807238bb SF-ADC(3) 2021-02-03 22:00:21 +01:00
67a96a04e5 input and output 2021-02-01 15:17:49 +01:00
0c24f2fb95 input and ouput 2021-02-01 08:56:47 +01:00
f0dbe0dc68 input and ouput 2021-02-01 08:55:05 +01:00
c5b9b7804f input and output 2021-02-01 07:22:00 +01:00
82eb0e4b59 input and output CBD 2021-01-29 08:03:48 +01:00
51c9779fca input and output 2021-01-27 17:11:52 +01:00
4dc53d6a02 input and output 2021-01-27 16:58:52 +01:00
d8ab899fe8 input and output SF-ADC 2021-01-26 18:30:12 +01:00
52bcc20123 input and output 2021-01-25 21:03:02 +01:00
dc79358c1e input and output 2021-01-25 17:35:21 +01:00
66c2bb8d76 notebook 2021-01-25 16:33:40 +01:00
c62cf97735 first commit 2021-01-25 16:33:16 +01:00