Commit Graph

135 Commits

Author SHA1 Message Date
500d21cceb 1st draft for He and H2st 2020-04-10 17:27:26 +02:00
b743a32dd7 saving work 2020-04-10 15:48:12 +02:00
e5c922378e working on discussion for He and stretched H2 2020-04-10 14:04:32 +02:00
bbb2ce3bcc starting writing He and H2st 2020-04-09 22:55:00 +02:00
1324723e4f remove GIC print 2020-04-09 21:50:48 +02:00
148f4ffd4b remove GIC print 2020-04-09 21:43:18 +02:00
523b6a8758 He 2020-04-09 16:27:48 +02:00
146e37e928 He 2020-04-09 16:27:21 +02:00
8cb01f3138 Cxw 2020-04-09 15:01:00 +02:00
d90f73a3d9 H2 eq done 2020-04-09 12:23:26 +02:00
6257ccc1b4 Cxw 2020-04-09 10:50:20 +02:00
7b0b1b150e start clean up results 2020-04-09 10:25:06 +02:00
ffdd3d89b9 H2 stretch MOM 2020-04-08 22:34:15 +02:00
252ba4ec5b H2 stretch 2020-04-08 22:00:14 +02:00
0c1a1a6d3c Minor changes. 2020-04-08 18:00:54 +02:00
44f6dcad8a Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/FarDFT 2020-04-08 15:50:36 +02:00
c562345e81 Forgot to add Manu's ref. 2020-04-08 15:50:28 +02:00
a450078fb3 res H2 1st draft 2020-04-08 14:35:11 +02:00
8fdf84d670 clean up for clotilde 2020-04-08 14:25:37 +02:00
601452b25e H2 res 2020-04-08 14:16:19 +02:00
a05227b999 H2 res 2020-04-08 14:14:01 +02:00
6cef03e9f3 H2 res 2020-04-08 14:05:37 +02:00
301161158e H2 res 2020-04-08 13:57:24 +02:00
690be93a94 minor corrections 2020-04-08 13:27:18 +02:00
dd2e672a59 minor corrections 2020-04-08 13:23:45 +02:00
fa3b19c112 saving work 2020-04-08 10:43:46 +02:00
3c834ce69f saving work 2020-04-08 10:41:49 +02:00
9199daf07c Added comments and corrections. 2020-04-08 10:28:58 +02:00
60c2cad1c2 figs 2020-04-07 23:16:59 +02:00
d055fc562c Tab III 2020-04-07 23:16:32 +02:00
7c20911233 saving work 2020-04-07 15:40:10 +02:00
3584f4fb52 clean up theory 2020-04-07 11:03:36 +02:00
b7ce410e5f Corrected my comments. 2020-04-03 15:08:58 +02:00
dfc8301820 Added comments. 2020-04-02 20:49:35 +02:00
777aadd7c2 Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/FarDFT 2020-04-01 11:23:53 +02:00
65cea65f1c got rid of old results 2020-04-01 11:23:39 +02:00
f4c08d4556 Added the grffile package to handle dots in figure's name which are not file extensions. 2020-03-30 11:38:48 +02:00
0e8f38d137 added Bruno to authors 2020-03-30 09:34:44 +02:00
ebb1b8af31 int files 2020-03-14 15:38:08 +01:00
fab902e121 reformating equations 2020-02-22 21:20:29 +01:00
a65b8a8a19 new fig 2020-02-22 20:37:33 +01:00
4d9eb557f2 clean up results 2020-02-22 09:50:35 +01:00
b08bd66499 back to single weight 2020-02-21 21:09:48 +01:00
127b359f02 Ts 2020-02-14 14:26:48 +01:00
f3b5f49c15 save work 2020-02-14 10:53:16 +01:00
bbfdbdf315 NB 2020-02-13 22:57:17 +01:00
7b1ae7554a Functional 2020-02-11 21:39:45 +01:00
eda91e765c added paragraph in Theory 2020-02-11 21:12:20 +01:00
e9e398ca13 corrections intro 2020-02-11 20:28:09 +01:00
9e88887b99 add Manu on paper 2020-02-10 13:25:20 +01:00
6c59d4c246 GOK 2020-02-10 10:30:10 +01:00
1bf9b9779d figs 2019-12-10 10:03:01 +01:00
fdaa12e756 moving fig 2019-12-09 15:09:06 +01:00
f74f26d137 fix table 3 2019-12-09 13:18:30 +01:00
269c19622f new figs and tab 2019-12-07 22:26:49 +01:00
7b30e84c63 typo found by Clotilde 2019-11-30 19:04:26 +01:00
4c1a444546 Clotilde discovered a typo 2019-11-28 12:16:46 +01:00
5fd3eabfc6 clean up 2019-11-27 21:28:19 +01:00
a572214aa4 few modifications 2019-11-27 21:26:34 +01:00
2e25c74b8d making progress on the ensemble energies 2019-11-27 17:02:22 +01:00
e10d37db8a messing around with orbital energies 2019-11-26 22:50:38 +01:00
e59eea0736 expand Ew 2019-11-25 22:21:10 +01:00
b194b39fce expand res 2019-11-25 17:02:17 +01:00
Clotilde Marut
e96f05da6c typos 2019-11-25 11:12:27 +01:00
77b28f4a31 starting results 2019-11-24 23:44:09 +01:00
e6e4f2edee minor 2019-11-24 21:25:15 +01:00
91dd518ea7 typo 2019-11-23 22:16:26 +01:00
e450c46ccc details for FUEG 2019-11-23 22:13:29 +01:00
8b70a52134 fix problem with Eq (7) 2019-11-23 21:40:25 +01:00
4118afd1bb minimal corrections 2019-11-22 23:20:46 +01:00
8095015305 fig 1 2019-11-22 14:12:43 +01:00
20b2b3f3cf theory done except problem with KS eigval 2019-11-21 23:01:10 +01:00
ffd0dfd4e1 clean up intro and abstract 2019-11-21 22:06:29 +01:00
c348e8170d numerical values 2019-11-18 16:55:09 +01:00
0551108122 LDA centered 2019-11-18 16:36:14 +01:00
89ac06aa11 GACE 2019-11-18 16:02:55 +01:00
aac3c18472 more refs, intro and clean up methodo 2019-11-17 22:42:29 +01:00
406cc524eb Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/FarDFT 2019-11-15 11:54:29 +01:00
4394cd1220 theory again 2019-11-15 11:54:24 +01:00
Clotilde Marut
001820e279 correction typo 2019-11-15 11:13:12 +01:00
6c0a16c251 theory 2019-11-15 10:41:07 +01:00
1433148942 Cx 2019-11-14 22:00:25 +01:00
a7a81f8b81 intro 2019-11-14 21:39:06 +01:00
f54ccb2c13 cleaning up the git mess 2019-11-14 19:48:18 +01:00
53f9ae508e fix 2019-11-14 11:33:04 +01:00