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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 |
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|
cd781a1e11
|
HF works
|
2020-07-06 21:27:28 +02:00 |
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|
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 |
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|
ec22768aa8
|
still cleaning up
|
2020-07-06 15:43:18 +02:00 |
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|
2c2f02d701
|
clean up
|
2020-07-06 15:42:21 +02:00 |
|
Clotilde Marut
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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 |
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f3e7222e49
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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 |
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|
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 |
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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 |
|
|
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 |
|