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fc0f9bb5f0
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dynamic BSE@GT
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2022-01-11 15:23:43 +01:00 |
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978e8b6a2c
|
OK with BSE@GT
|
2022-01-09 23:13:17 +01:00 |
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695b407335
|
OK with BSE@GT
|
2022-01-09 23:12:21 +01:00 |
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d790d95c4d
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fix bugs in print in UKS
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2022-01-08 13:59:45 +01:00 |
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41d160d1d6
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fix sign in GM@GT
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2022-01-07 15:14:00 +01:00 |
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909777c458
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rename routine in HF
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2022-01-07 09:56:30 +01:00 |
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0cdf014817
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fix bug GM@GT
|
2022-01-07 09:37:11 +01:00 |
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16066f96d8
|
rename routines in eDFT
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2022-01-07 09:13:38 +01:00 |
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d51f99671d
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problem with rcond in DIIS fixed
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2022-01-06 22:36:30 +01:00 |
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c93ae70805
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fix bug in regularized self energy
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2022-01-06 22:13:45 +01:00 |
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baff46e4db
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regularized self-energy in UGW
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2022-01-06 22:10:53 +01:00 |
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c21864c34c
|
regularized self-energy in qsGW and evGW
|
2022-01-06 22:02:10 +01:00 |
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3d4ef5bece
|
fix bug in GF
|
2022-01-06 21:41:12 +01:00 |
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e1f67c94d4
|
GM in GT
|
2022-01-06 13:48:15 +01:00 |
|
Clotilde Marut
|
7fb569aa49
|
Merge branch 'master' of github.com:pfloos/quack
|
2022-01-06 11:35:57 +01:00 |
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cfb0d4c92c
|
print LZ
|
2022-01-06 11:35:52 +01:00 |
|
Clotilde Marut
|
3c39e0aa3a
|
fix conflicts
|
2022-01-06 11:20:49 +01:00 |
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94a4a2937c
|
fix probleme HOMO/LUMO
|
2022-01-06 11:18:34 +01:00 |
|
Clotilde Marut
|
2c86a41d0d
|
safety commit
|
2022-01-06 11:18:07 +01:00 |
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310f4ab132
|
problem print HOMO/LUMO
|
2022-01-06 10:23:48 +01:00 |
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3ecf94bbc9
|
debugging BSE@GT
|
2022-01-05 12:46:59 +01:00 |
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f6270a0ba5
|
CID and CISD
|
2022-01-04 11:39:33 +01:00 |
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3cf1159cf0
|
unrestricted boolean in QuAcK
|
2022-01-02 17:14:10 +01:00 |
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|
c7d353de18
|
rename files in GT
|
2022-01-02 10:25:19 +01:00 |
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|
97c274a4f1
|
rename files in GT
|
2022-01-02 10:24:30 +01:00 |
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d6ee3863da
|
ppURPA
|
2021-12-31 12:49:13 +01:00 |
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|
|
2a5d6892b8
|
BSE@GT potentially correct
|
2021-12-21 13:49:41 +01:00 |
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|
de2c45ab70
|
fix bug
|
2021-12-17 15:42:16 +01:00 |
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|
cdf7148606
|
renormalized GT
|
2021-12-17 13:51:12 +01:00 |
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|
|
02f7a03385
|
regularized GF2
|
2021-12-17 13:36:26 +01:00 |
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|
|
203ce9541c
|
regularized GW
|
2021-12-17 11:41:40 +01:00 |
|
Clotilde Marut
|
187c8a791c
|
Merge branch 'master' of github.com:pfloos/quack
|
2021-12-16 21:43:35 +01:00 |
|
Clotilde Marut
|
2b58358681
|
eDFT code OK
|
2021-12-16 21:42:58 +01:00 |
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|
|
d24b729fc3
|
regularized GW
|
2021-12-16 15:19:44 +01:00 |
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|
|
a64bdce3c4
|
regularized GW
|
2021-12-16 14:47:13 +01:00 |
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|
50d22777e9
|
regularized MP2
|
2021-12-16 14:25:09 +01:00 |
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|
|
e006fb5a01
|
regularized MP2
|
2021-12-16 14:24:02 +01:00 |
|
|
|
55187b39c4
|
ppURPA updates
|
2021-12-16 12:28:28 +01:00 |
|
|
|
5d5824ce14
|
ppURPA
|
2021-12-15 11:41:06 +01:00 |
|
|
|
fcf46af600
|
modif QuAcK for ppURPA
|
2021-12-13 14:30:49 +01:00 |
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|
|
3d3806da64
|
ppURPA
|
2021-12-13 14:28:05 +01:00 |
|
|
|
1dfee1e9fa
|
set Fermi energy to zero in pp
|
2021-12-13 11:40:16 +01:00 |
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|
|
1de6de072e
|
Ncentered version of DD
|
2021-12-07 09:57:09 +01:00 |
|
|
|
11703f2706
|
fix bug in LZc
|
2021-12-07 09:44:27 +01:00 |
|
|
|
20dc79e533
|
fix bug in LZc
|
2021-12-07 09:41:14 +01:00 |
|
|
|
bbe1c4b2ff
|
fix N-centered
|
2021-12-06 15:27:39 +01:00 |
|
Clotilde Marut
|
c14f6c9aa1
|
CC modifs
|
2021-12-06 10:03:28 +01:00 |
|
|
|
c90c95e03d
|
OK with eDFT
|
2021-12-01 11:18:12 +01:00 |
|
|
|
df0ee9e46f
|
OK with eDFT
|
2021-12-01 11:17:48 +01:00 |
|
|
|
13185c8b64
|
individual energies are working
|
2021-12-01 10:54:51 +01:00 |
|
