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af5d4f4226
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fixing antoine
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2023-07-02 16:21:14 +02:00 |
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Antoine Marie
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545b5fb5e2
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trying to fix diverging version
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2023-06-30 16:47:26 +02:00 |
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a8a8218798
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ok with ehGT
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2023-06-29 20:46:47 +02:00 |
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f5d6971e1f
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experimental files
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2023-06-29 18:54:00 +02:00 |
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f998fb3a13
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remove self-screening correction
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2023-04-12 22:29:10 +02:00 |
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a1b4abf10a
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fix bug in BSE2@GW
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2023-03-13 10:10:40 +01:00 |
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c130e3a352
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fix bug in CCGW
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2022-12-06 09:15:32 +01:00 |
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196e4c917a
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introduce SRG regularizer in GF, GW, and GT and add option for reg MP2
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2022-11-30 17:18:51 +01:00 |
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597c4a9885
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getting rid of G0W and GW0
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2022-11-30 16:41:43 +01:00 |
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733e2794ec
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BeO
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2022-11-29 16:01:02 +01:00 |
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0b56f97398
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update DIIS in HF and qsGW
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2022-11-29 14:47:51 +01:00 |
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76a3b9cfff
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SRG qsGW
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2022-11-29 12:11:09 +01:00 |
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2a46cc4617
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remove old methods and options
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2022-11-29 09:54:18 +01:00 |
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d2082f55f8
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implementation of BSE2@GW
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2022-11-28 15:05:29 +01:00 |
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5a561e0ed9
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update eDFT module
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2022-11-28 10:52:06 +01:00 |
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b5499435ae
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numgrid install problem
|
2022-10-20 16:20:59 +02:00 |
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96621bd038
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adding routines for MBPT vs CC
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2022-09-28 16:09:09 +02:00 |
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1f2f6634bb
|
DIP- and DEA-EOM-CCD
|
2022-09-27 14:07:31 +02:00 |
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68008e5738
|
working on ppBSE@GT
|
2022-09-09 21:48:50 +02:00 |
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13ed518704
|
correct a few bugs in ppBSE
|
2022-08-17 16:53:59 +02:00 |
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3acc640eee
|
excitation vectors for ppRPA and ppBSE
|
2022-08-17 15:52:13 +02:00 |
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68672a74b9
|
adding option for ppBSE
|
2022-08-17 14:38:00 +02:00 |
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93564f350d
|
ppBSE@G0W0
|
2022-08-17 14:32:14 +02:00 |
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|
|
715c97a1e3
|
guess read implementation
|
2022-08-16 15:59:15 +02:00 |
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20264ca56c
|
fix bug in iterative dynamic correction
|
2022-08-15 09:49:57 +02:00 |
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|
|
f8880b24e1
|
qsUGT still not working
|
2022-02-25 11:33:13 +01:00 |
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|
|
9f2bb3ba7d
|
qsUGT
|
2022-02-25 09:40:39 +01:00 |
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|
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cb0054c441
|
changed cutoff in ufG0W0
|
2022-02-18 16:29:17 +01:00 |
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|
|
31e9911797
|
evUGT not working yet
|
2022-02-16 22:24:43 +01:00 |
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|
|
a878fc6e3b
|
UG0T0
|
2022-02-16 21:27:35 +01:00 |
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|
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0b4abc2d91
|
fix merge
|
2022-02-15 20:15:21 +01:00 |
|
Pierre-Francois Loos
|
1dea272863
|
commit before enzo pull
|
2022-02-15 20:14:01 +01:00 |
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|
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86f501cb78
|
ppURPA
|
2022-02-15 13:51:18 +01:00 |
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d4c50fa39e
|
print_UG0T0.f90
|
2022-02-08 13:45:13 +01:00 |
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15a04fd253
|
merge with Clotilde
|
2022-02-07 10:48:46 +01:00 |
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036c8bda26
|
merge with Clotilde
|
2022-02-07 10:48:22 +01:00 |
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2325131fb0
|
UG0T0
|
2022-02-07 10:46:43 +01:00 |
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21c1ceb975
|
fix ACFDT for Tmatrix
|
2022-02-03 10:05:58 +01:00 |
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03f41ef20c
|
level shift and proper guess
|
2022-02-02 15:06:51 +01:00 |
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|
|
f7718c8ab1
|
clean linear response and static BSE2 kernel
|
2022-01-31 13:19:42 +01:00 |
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|
|
0924ce1b3d
|
clean ppURPA
|
2022-01-29 11:47:35 +01:00 |
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|
|
df5345e570
|
spinorbital BSE@G0T0
|
2022-01-26 13:05:16 +01:00 |
|
Pierre-Francois Loos
|
0f7cde9766
|
fix bug in eDFT rcond not initialized
|
2022-01-24 10:29:27 +01:00 |
|
|
|
96e4f15aeb
|
B part of dBSE@GT
|
2022-01-12 09:17:39 +01:00 |
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|
|
fc0f9bb5f0
|
dynamic BSE@GT
|
2022-01-11 15:23:43 +01:00 |
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|
|
695b407335
|
OK with BSE@GT
|
2022-01-09 23:12:21 +01:00 |
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|
|
41d160d1d6
|
fix sign in GM@GT
|
2022-01-07 15:14:00 +01:00 |
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|
|
16066f96d8
|
rename routines in eDFT
|
2022-01-07 09:13:38 +01:00 |
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|
|
e1f67c94d4
|
GM in GT
|
2022-01-06 13:48:15 +01:00 |
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|
|
3ecf94bbc9
|
debugging BSE@GT
|
2022-01-05 12:46:59 +01:00 |
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