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mirror of https://github.com/pfloos/quack synced 2024-11-19 12:32:36 +01:00
Commit Graph

313 Commits

Author SHA1 Message Date
467fa5d08c fix correlation keywords 2020-07-08 11:26:47 +02:00
91a0120eee fix problem with individual energies 2020-07-08 10:55:03 +02:00
cd781a1e11 HF works 2020-07-06 21:27:28 +02:00
b70c4e1f7a more structure in the code 2020-07-06 20:57:27 +02:00
1e428400c4 scan w for cloclo 2020-07-06 16:07:22 +02:00
ec22768aa8 still cleaning up 2020-07-06 15:43:18 +02:00
2c2f02d701 clean up 2020-07-06 15:42:21 +02:00
Clotilde Marut
b5f7e5e6c9 testing some modifications 2020-07-06 12:19:49 +02:00
Clotilde Marut
372ccd2e4e still looking for some bug 2020-07-05 19:04:08 +02:00
f3e7222e49 looking for a bug 2020-07-04 14:32:06 +02:00
Clotilde Marut
22dda9af8b minor modifications 2020-07-04 13:19:45 +02:00
Clotilde Marut
0d78b5195c exchange CC parameters modifications in read_options for all methods 2020-07-03 11:00:49 +02:00
Clotilde Marut
e8d4938fe5 more modifications in the final print for eDFT_UKS 2020-07-02 22:15:29 +02:00
Clotilde Marut
09d3b39e63 modifications for the parameters of the weight-dependent functionnals 2020-07-02 18:49:42 +02:00
Clotilde Marut
c081a2664a starting modifying code for parameters of CC functional 2020-07-02 15:40:30 +02:00
Clotilde Marut
1753f4190d clean up unrestricted 2020-07-02 14:27:38 +02:00
04d1d790f8 starting working on fundamental gap with cloclo 2020-06-23 15:59:19 +02:00
936638cc17 fix another mismatch in options 2020-06-18 08:47:51 +02:00
aab7acc4c0 BSE add file 2020-06-17 22:46:38 +02:00
a61fd351f9 fix option mismatch 2020-06-17 22:10:08 +02:00
6da5afae6d BSE2 iterative 2020-06-17 14:32:37 +02:00
9bde47178d BSE2 2020-06-16 23:40:21 +02:00
4569e15744 new options 2020-06-16 14:02:14 +02:00
9a2244bd9b more clean up 2020-06-15 23:04:07 +02:00
69e8bdd49c new options for dBSE 2020-06-14 21:20:01 +02:00
ddd1e79643 remove comments in ACFDT 2020-06-14 20:51:02 +02:00
f227247f42 evDyn 2020-06-14 15:09:33 +02:00
b823bbcac7 fix iteractive dynamical BSE 2020-06-14 13:18:56 +02:00
f7e90a9f99 spin in W 2020-06-14 13:04:16 +02:00
84e01bfcb6 -w 2020-06-11 15:36:16 +02:00
10e316b140 gitignore 2020-06-10 15:40:44 +02:00
04d5f4a592 gitignore 2020-06-10 15:34:49 +02:00
b6bbeb3f3b fix bug in BSE triplet 2020-06-09 21:24:37 +02:00
da8ef4fa5b new examples 2020-06-07 09:59:36 +02:00
fdaf483399 fix bug 2020-06-06 21:34:39 +02:00
d473dd79fa BSE2 2020-06-06 08:48:04 +02:00
769f4e9221 (1) 2020-06-05 22:34:32 +02:00
bf7f441d4d RCC 2020-06-04 22:41:38 +02:00
bd6684e876 Merge branch 'master' of github.com:pfloos/quack 2020-06-04 22:40:45 +02:00
986caedeac clean dBSE code 2020-06-04 22:40:14 +02:00
Anthony Scemama
15f65c7010
Merge pull request #2 from pfloos/add-license-1
Create LICENSE
2020-06-04 18:36:17 +02:00
Anthony Scemama
e88df333cf
Create LICENSE 2020-06-04 18:35:51 +02:00
2d02a4b694 new basis 2020-06-04 13:08:31 +02:00
e4ce9dd9ba stop 2020-06-03 12:46:26 +02:00
8fd57515cc bug fix evGF2 2020-06-03 12:24:38 +02:00
4b3bb88b84 clean up GF 2020-06-03 12:06:16 +02:00
ea78befb4f BSE2 debug done 2020-06-02 22:36:56 +02:00
a011b3dfde fix TDA 2020-06-02 13:24:40 +02:00
862314e414 BSE2 2020-06-02 13:20:20 +02:00
434d5e9c52 BSE almost done 2020-06-01 22:01:53 +02:00