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91a0120eee
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fix problem with individual energies
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2020-07-08 10:55:03 +02:00 |
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cd781a1e11
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HF works
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2020-07-06 21:27:28 +02:00 |
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b70c4e1f7a
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more structure in the code
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2020-07-06 20:57:27 +02:00 |
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1e428400c4
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scan w for cloclo
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2020-07-06 16:07:22 +02:00 |
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ec22768aa8
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still cleaning up
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2020-07-06 15:43:18 +02:00 |
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2c2f02d701
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clean up
|
2020-07-06 15:42:21 +02:00 |
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Clotilde Marut
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b5f7e5e6c9
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testing some modifications
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2020-07-06 12:19:49 +02:00 |
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Clotilde Marut
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372ccd2e4e
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still looking for some bug
|
2020-07-05 19:04:08 +02:00 |
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f3e7222e49
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looking for a bug
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2020-07-04 14:32:06 +02:00 |
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Clotilde Marut
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22dda9af8b
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minor modifications
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2020-07-04 13:19:45 +02:00 |
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Clotilde Marut
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0d78b5195c
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exchange CC parameters modifications in read_options for all methods
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2020-07-03 11:00:49 +02:00 |
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Clotilde Marut
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e8d4938fe5
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more modifications in the final print for eDFT_UKS
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2020-07-02 22:15:29 +02:00 |
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Clotilde Marut
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09d3b39e63
|
modifications for the parameters of the weight-dependent functionnals
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2020-07-02 18:49:42 +02:00 |
|
Clotilde Marut
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c081a2664a
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starting modifying code for parameters of CC functional
|
2020-07-02 15:40:30 +02:00 |
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Clotilde Marut
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1753f4190d
|
clean up unrestricted
|
2020-07-02 14:27:38 +02:00 |
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04d1d790f8
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starting working on fundamental gap with cloclo
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2020-06-23 15:59:19 +02:00 |
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936638cc17
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fix another mismatch in options
|
2020-06-18 08:47:51 +02:00 |
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aab7acc4c0
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BSE add file
|
2020-06-17 22:46:38 +02:00 |
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a61fd351f9
|
fix option mismatch
|
2020-06-17 22:10:08 +02:00 |
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6da5afae6d
|
BSE2 iterative
|
2020-06-17 14:32:37 +02:00 |
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9bde47178d
|
BSE2
|
2020-06-16 23:40:21 +02:00 |
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4569e15744
|
new options
|
2020-06-16 14:02:14 +02:00 |
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|
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9a2244bd9b
|
more clean up
|
2020-06-15 23:04:07 +02:00 |
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|
|
69e8bdd49c
|
new options for dBSE
|
2020-06-14 21:20:01 +02:00 |
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|
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ddd1e79643
|
remove comments in ACFDT
|
2020-06-14 20:51:02 +02:00 |
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f227247f42
|
evDyn
|
2020-06-14 15:09:33 +02:00 |
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b823bbcac7
|
fix iteractive dynamical BSE
|
2020-06-14 13:18:56 +02:00 |
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f7e90a9f99
|
spin in W
|
2020-06-14 13:04:16 +02:00 |
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84e01bfcb6
|
-w
|
2020-06-11 15:36:16 +02:00 |
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10e316b140
|
gitignore
|
2020-06-10 15:40:44 +02:00 |
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04d5f4a592
|
gitignore
|
2020-06-10 15:34:49 +02:00 |
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b6bbeb3f3b
|
fix bug in BSE triplet
|
2020-06-09 21:24:37 +02:00 |
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|
da8ef4fa5b
|
new examples
|
2020-06-07 09:59:36 +02:00 |
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|
fdaf483399
|
fix bug
|
2020-06-06 21:34:39 +02:00 |
|
|
|
d473dd79fa
|
BSE2
|
2020-06-06 08:48:04 +02:00 |
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|
769f4e9221
|
(1)
|
2020-06-05 22:34:32 +02:00 |
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|
bf7f441d4d
|
RCC
|
2020-06-04 22:41:38 +02:00 |
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bd6684e876
|
Merge branch 'master' of github.com:pfloos/quack
|
2020-06-04 22:40:45 +02:00 |
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|
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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 |
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|
|
2d02a4b694
|
new basis
|
2020-06-04 13:08:31 +02:00 |
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|
e4ce9dd9ba
|
stop
|
2020-06-03 12:46:26 +02:00 |
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|
|
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 |
|
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|
29294ef5a4
|
BSE almost done
|
2020-06-01 22:01:21 +02:00 |
|
