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092a3f5e6d
|
OK with LR in RPA routines
|
2023-07-18 11:53:38 +02:00 |
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|
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266be65f2e
|
OK for ppLR
|
2023-07-18 09:59:25 +02:00 |
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|
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65ddd8df20
|
remove MO.dat
|
2023-07-18 09:20:07 +02:00 |
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af6a2038d6
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fix bug in MP module
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2023-07-17 14:24:49 +02:00 |
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|
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2c7653b7bc
|
add HF module
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2023-07-17 13:35:24 +02:00 |
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ae540679cd
|
more renaming
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2023-07-12 23:16:37 +02:00 |
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|
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d207fb5173
|
renaming LR routines and fix bug in Z GW
|
2023-07-12 13:34:10 +02:00 |
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|
|
6e93f1f6bb
|
add dynamic BSE2@GW
|
2023-07-10 14:50:16 +02:00 |
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|
|
6d4199f989
|
add optimization in GF
|
2023-07-10 13:53:39 +02:00 |
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|
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06df6109fa
|
add optimization in GT
|
2023-07-10 11:53:42 +02:00 |
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|
|
d93fbcb591
|
add optimization in BSE@GW
|
2023-07-10 11:36:45 +02:00 |
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|
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2fc348ebe4
|
qsGTeh
|
2023-07-04 09:27:35 +02:00 |
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|
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b701886e5c
|
fix 2 bugs en GTeh
|
2023-07-04 08:29:16 +02:00 |
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|
|
1110cd6319
|
evGTeh
|
2023-07-03 23:15:07 +02:00 |
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|
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af5d4f4226
|
fixing antoine
|
2023-07-02 16:21:14 +02:00 |
|
Antoine Marie
|
545b5fb5e2
|
trying to fix diverging version
|
2023-06-30 16:47:26 +02:00 |
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|
|
a8a8218798
|
ok with ehGT
|
2023-06-29 20:46:47 +02:00 |
|
|
|
f5d6971e1f
|
experimental files
|
2023-06-29 18:54:00 +02:00 |
|
|
|
f998fb3a13
|
remove self-screening correction
|
2023-04-12 22:29:10 +02:00 |
|
Antoine Marie
|
78cefb5759
|
fix conflicts
|
2023-03-14 14:15:00 +01:00 |
|
Antoine Marie
|
1b0eaf2fba
|
add SRG in input
|
2023-03-14 14:13:33 +01:00 |
|
|
|
a1b4abf10a
|
fix bug in BSE2@GW
|
2023-03-13 10:10:40 +01:00 |
|
|
|
c130e3a352
|
fix bug in CCGW
|
2022-12-06 09:15:32 +01:00 |
|
|
|
bdbd201d6c
|
remove MP2F12
|
2022-12-01 09:42:23 +01:00 |
|
|
|
196e4c917a
|
introduce SRG regularizer in GF, GW, and GT and add option for reg MP2
|
2022-11-30 17:18:51 +01:00 |
|
|
|
733e2794ec
|
BeO
|
2022-11-29 16:01:02 +01:00 |
|
|
|
76a3b9cfff
|
SRG qsGW
|
2022-11-29 12:11:09 +01:00 |
|
|
|
2a46cc4617
|
remove old methods and options
|
2022-11-29 09:54:18 +01:00 |
|
|
|
d2082f55f8
|
implementation of BSE2@GW
|
2022-11-28 15:05:29 +01:00 |
|
|
|
5a561e0ed9
|
update eDFT module
|
2022-11-28 10:52:06 +01:00 |
|
|
|
68d95544ae
|
clean up QuAcK
|
2022-11-08 15:38:46 +01:00 |
|
|
|
b5499435ae
|
numgrid install problem
|
2022-10-20 16:20:59 +02:00 |
|
|
|
37030fe797
|
CCGW
|
2022-10-13 21:20:37 +02:00 |
|
|
|
f9497363b2
|
CCGW
|
2022-09-29 16:01:02 +02:00 |
|
|
|
96621bd038
|
adding routines for MBPT vs CC
|
2022-09-28 16:09:09 +02:00 |
|
|
|
69bab74d81
|
EE-EOM-CCD
|
2022-09-27 16:43:24 +02:00 |
|
|
|
1f2f6634bb
|
DIP- and DEA-EOM-CCD
|
2022-09-27 14:07:31 +02:00 |
|
|
|
68008e5738
|
working on ppBSE@GT
|
2022-09-09 21:48:50 +02:00 |
|
|
|
93564f350d
|
ppBSE@G0W0
|
2022-08-17 14:32:14 +02:00 |
|
|
|
20264ca56c
|
fix bug in iterative dynamic correction
|
2022-08-15 09:49:57 +02:00 |
|
|
|
f8880b24e1
|
qsUGT still not working
|
2022-02-25 11:33:13 +01:00 |
|
|
|
9f2bb3ba7d
|
qsUGT
|
2022-02-25 09:40:39 +01:00 |
|
|
|
cb0054c441
|
changed cutoff in ufG0W0
|
2022-02-18 16:29:17 +01:00 |
|
|
|
a878fc6e3b
|
UG0T0
|
2022-02-16 21:27:35 +01:00 |
|
|
|
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 |
|
|
|
ab27723b51
|
UG0T0
|
2022-02-15 14:08:11 +01:00 |
|
|
|
86f501cb78
|
ppURPA
|
2022-02-15 13:51:18 +01:00 |
|
|
|
d4c50fa39e
|
print_UG0T0.f90
|
2022-02-08 13:45:13 +01:00 |
|
|
|
2325131fb0
|
UG0T0
|
2022-02-07 10:46:43 +01:00 |
|
