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68e6f02ae2
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clean print excitations
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2023-07-28 14:35:14 +02:00 |
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4576ee06c3
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rename LR routines
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2023-07-28 14:14:35 +02:00 |
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6b56acf66b
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updating Z in QP roots
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2023-07-27 21:23:40 +02:00 |
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4fec6e88f5
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clean up GTpp
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2023-07-27 19:17:20 +02:00 |
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ee0cb0fd6a
|
fix root search
|
2023-07-27 17:43:18 +02:00 |
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044058ac66
|
root search for GTeh
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2023-07-27 16:43:15 +02:00 |
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0a212628c3
|
fix memory leaks in ppBSE
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2023-07-27 10:11:35 +02:00 |
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bd6fdf87f1
|
remove ERI_AO in GW GT
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2023-07-23 23:10:57 +02:00 |
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|
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4de7d1882d
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fix bug in HF diis
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2023-07-23 22:03:42 +02:00 |
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eb59072a2c
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cleanup
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2023-07-23 18:03:15 +02:00 |
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f515261c88
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GT and GW modules
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2023-07-23 17:41:44 +02:00 |
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b5ccfb734a
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remove Vxc and SigX and rename routines in UGT
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2023-07-22 21:40:19 +02:00 |
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34fb993302
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clean up GTeh
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2023-07-21 20:38:49 +02:00 |
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c476b258ff
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rename ULR routines
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2023-07-21 13:04:29 +02:00 |
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5660146de5
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clean up GW and GT
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2023-07-21 12:30:29 +02:00 |
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46ab457dc2
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remove evDyn and cleanup dBSE@GW
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2023-07-21 10:21:54 +02:00 |
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7d0541778b
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rename kernel routines
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2023-07-20 15:54:24 +02:00 |
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63ab549f6b
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ppLR in GTpp and GW
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2023-07-20 14:59:02 +02:00 |
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11794c6625
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ok with linear response
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2023-07-20 12:37:54 +02:00 |
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0b72047ab3
|
phLR in GTeh
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2023-07-18 22:17:42 +02:00 |
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e150460d22
|
missing files
|
2023-07-18 15:07:39 +02:00 |
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266be65f2e
|
OK for ppLR
|
2023-07-18 09:59:25 +02:00 |
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608a62dd6a
|
remove construction of matrices in ppRPA
|
2023-07-17 23:05:49 +02:00 |
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91954dba8d
|
remove so GT routines
|
2023-07-17 22:31:28 +02:00 |
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2c7653b7bc
|
add HF module
|
2023-07-17 13:35:24 +02:00 |
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69faf94a4f
|
renaming again
|
2023-07-12 22:56:20 +02:00 |
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76bc19504d
|
rename LR matrices
|
2023-07-12 22:37:04 +02:00 |
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d6eb90df47
|
moving calculations of Z in Sig
|
2023-07-12 14:13:45 +02:00 |
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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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06df6109fa
|
add optimization in GT
|
2023-07-10 11:53:42 +02:00 |
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d704b367bc
|
rename more files
|
2023-07-04 11:56:00 +02:00 |
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|
812721e5d9
|
rename GTpp routines
|
2023-07-04 10:32:47 +02:00 |
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|
2fc348ebe4
|
qsGTeh
|
2023-07-04 09:27:35 +02:00 |
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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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989e0b9bd8
|
remove qcaml for pyscf
|
2023-07-03 14:33:48 +02:00 |
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af5d4f4226
|
fixing antoine
|
2023-07-02 16:21:14 +02:00 |
|
Antoine Marie
|
4334ce3ee6
|
missing files
|
2023-06-30 19:17:35 +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 |
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|
3bab883de1
|
missing file
|
2023-06-29 18:56:01 +02:00 |
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|
|
f5d6971e1f
|
experimental files
|
2023-06-29 18:54:00 +02:00 |
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|
196e4c917a
|
introduce SRG regularizer in GF, GW, and GT and add option for reg MP2
|
2022-11-30 17:18:51 +01:00 |
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|
|
5a561e0ed9
|
update eDFT module
|
2022-11-28 10:52:06 +01:00 |
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|
|
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 |
|
|
|
f8880b24e1
|
qsUGT still not working
|
2022-02-25 11:33:13 +01:00 |
|
|
|
9f2bb3ba7d
|
qsUGT
|
2022-02-25 09:40:39 +01:00 |
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|
|
4ab817e39d
|
evUGT working
|
2022-02-17 08:51:35 +01:00 |
|
|
|
31e9911797
|
evUGT not working yet
|
2022-02-16 22:24:43 +01:00 |
|
