Commit Graph

237 Commits

Author SHA1 Message Date
fac1e685dd saving work 2022-06-12 10:57:51 +02:00
f3d62139ca revision manuscript 2022-06-12 10:45:56 +02:00
07effa68af Q-Chem version 2022-06-10 17:11:23 +02:00
0cb2b746e2 Martial+Denis corrections 2022-06-10 16:58:13 +02:00
47f3836321 figures 2022-06-10 16:44:36 +02:00
b98cd199c8 ok with response letter and mansucript 2022-06-10 11:20:28 +02:00
9ec78543e8 MRCI+Q 2022-06-10 11:12:53 +02:00
f9e300c3eb MRCI supporting 2022-06-10 10:13:42 +02:00
997fd4e099 SF-EOM-CCSD 2022-06-09 23:01:30 +02:00
9b8d68bf28 Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/CBD 2022-06-09 22:45:58 +02:00
588402e923 figures 2022-06-09 22:45:47 +02:00
b2d32c44d4 EOM-SF -> SF-EOM 2022-06-09 22:17:44 +02:00
288925728c minor corrections 2022-06-09 16:28:16 +02:00
7a8d5bd874 saving work in revision 2022-06-08 18:49:43 +02:00
56175f29f1 figures 2022-06-08 16:28:21 +02:00
523daf9f33 revisions 2022-06-08 15:57:20 +02:00
acb8e1d728 update 2022-06-08 14:19:22 +02:00
38b6383c2b Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/CBD 2022-06-08 14:18:02 +02:00
c518fc6356 update 2022-06-08 14:17:56 +02:00
6cf77869b8 revisions 2022-06-08 14:17:01 +02:00
e2a7ff2507 EOM-SF-CCSD discussion 2022-06-08 11:47:47 +02:00
74e5b20711 update 2022-06-08 10:00:08 +02:00
d8c2cdaa9c Manuscript updates 2022-06-07 17:01:21 +02:00
a89913a383 Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/CBD 2022-06-07 16:08:32 +02:00
92657ec59a LeFrancois EOM-SF-CC values 2022-06-07 16:08:26 +02:00
e3ed3a2f30 Merge branch 'master' of git.irsamc.ups-tlse.fr:loos/CBD 2022-06-07 15:54:37 +02:00
0e564c84c5 inserting Martial answers 2022-06-07 15:54:32 +02:00
54ee234a6a Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/CBD 2022-06-07 15:48:41 +02:00
3b9e71e322 update 2022-06-07 15:48:36 +02:00
47e0f61b5a Ag 2022-06-07 15:44:11 +02:00
06c11aaf85 Notebook 2022-06-07 13:57:34 +02:00
4c410060d5 Response+some data 2022-06-07 13:33:31 +02:00
87ea0fede9 update 2022-06-04 17:04:42 +02:00
2ed3ea43c2 fix SI problems 2022-05-25 14:33:13 +02:00
93fbc5e32e formatting sections 2022-05-25 14:23:44 +02:00
d338accc0f non-scientific changes 2022-05-25 14:19:03 +02:00
a2baf2fcb2 add EOM-DEA-CCSD results 2022-05-25 09:43:21 +02:00
d36fc00154 Manuscript corrections 2022-05-25 09:12:11 +02:00
10173098fd adding responses to comments 2022-05-23 22:43:39 +02:00
00d2597487 adding responses to comments 2022-05-23 22:41:15 +02:00
60423131dd Response Letter 2022-05-20 13:28:11 +02:00
a171b36724 some edition corrections 2022-05-20 12:53:20 +02:00
deaa7af595 some SF-EOM-CCSD results 2022-05-20 10:53:41 +02:00
3b2226ed13 EOMCC 2022-05-12 15:40:33 +02:00
47c3aee992 biblio 2022-05-11 16:28:21 +02:00
39ccd7cccd References 2022-05-11 14:22:08 +02:00
ef67864a65 Piotr's references 2022-05-11 14:18:20 +02:00
c18f24f70d CC4 -> CCSDTQ 2022-05-09 15:10:05 +02:00
a4d5e8a99f correction 2022-05-09 14:24:05 +02:00
b1ef3b205e fig3 2022-05-09 13:50:16 +02:00