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3d4ef5bece
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fix bug in GF
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2022-01-06 21:41:12 +01:00 |
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f6270a0ba5
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CID and CISD
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2022-01-04 11:39:33 +01:00 |
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3cf1159cf0
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unrestricted boolean in QuAcK
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2022-01-02 17:14:10 +01:00 |
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203ce9541c
|
regularized GW
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2021-12-17 11:41:40 +01:00 |
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fcf46af600
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modif QuAcK for ppURPA
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2021-12-13 14:30:49 +01:00 |
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c379b80eac
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ACFDT for ppRPA
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2021-11-18 13:34:08 +01:00 |
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23d7d83091
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working on ACFDT for T-matrix
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2021-11-10 22:41:40 +01:00 |
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3dfc2c3526
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crossed ring CC and RPA working
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2021-11-10 14:47:26 +01:00 |
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cec0fe9205
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working on RPA third channel
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2021-11-10 09:42:30 +01:00 |
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95ae0073ee
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properly included SOSEX (still probably bugged)
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2021-10-26 18:45:49 +02:00 |
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494204113b
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new version of SOSEX (need serious debugging)
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2021-10-22 21:10:31 +02:00 |
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7fd40afee5
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ufBSE
|
2021-10-19 18:07:44 +02:00 |
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22aeccb222
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TDA in pp-RPA and GT
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2021-10-18 22:05:26 +02:00 |
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27181b85e4
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adding ufGW to methods
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2021-10-18 21:11:01 +02:00 |
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58044a8a89
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OK for ufGW
|
2021-10-18 14:14:46 +02:00 |
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90a3570323
|
evGT
|
2021-10-17 23:04:22 +02:00 |
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378bfd9356
|
RMOM
|
2021-05-19 15:11:44 +02:00 |
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dd568d8806
|
evUGF2
|
2021-03-08 20:09:54 +01:00 |
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72470287f7
|
UG0F2
|
2021-03-08 17:00:05 +01:00 |
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2d826d0f1e
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working on qsUGF2
|
2021-03-07 23:04:47 +01:00 |
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ab7cf0401e
|
qsGF2
|
2021-03-05 22:34:48 +01:00 |
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75ec2443c1
|
stability analysis
|
2021-03-03 11:37:46 +01:00 |
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ede8862d67
|
fix bug in T matrix
|
2021-02-16 10:00:01 +01:00 |
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|
144b5904cb
|
fix small bug
|
2021-02-15 21:44:24 +01:00 |
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0f28af6d50
|
Vxc in GW
|
2021-02-15 17:27:06 +01:00 |
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722d74ae17
|
fix KS
|
2021-02-14 22:24:52 +01:00 |
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96e3dfe5e0
|
guess mix in eDFT
|
2021-01-31 23:24:25 +01:00 |
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469475ef5f
|
DCD
|
2020-12-04 13:26:08 +01:00 |
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5b4dd9982c
|
fix bug in pCC
|
2020-11-05 15:51:33 +01:00 |
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fc4a062326
|
mix guess for UHF
|
2020-10-27 17:23:48 +01:00 |
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b75798078b
|
qsUGW works
|
2020-10-21 12:58:37 +02:00 |
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2e6662056c
|
working on qsUGW
|
2020-10-21 12:09:18 +02:00 |
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a5cf80f709
|
FC for MP3
|
2020-10-19 13:57:56 +02:00 |
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|
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bad6a5a51f
|
merge eDFT in QuAcK
|
2020-10-14 09:44:03 +02:00 |
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|
cb2f4bc24b
|
remove old dft grid
|
2020-10-14 09:27:42 +02:00 |
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a5bd9c218b
|
ninja
|
2020-10-13 13:44:24 +02:00 |
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9707f6829f
|
GoDuck qcaml
|
2020-10-12 13:06:41 +02:00 |
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|
85fd543d1b
|
clean up pCCD
|
2020-10-08 17:19:48 +02:00 |
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1abe13c86d
|
Done with UACFDT
|
2020-10-07 22:51:30 +02:00 |
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3433e3f99e
|
sf-BSE
|
2020-10-06 14:24:54 +02:00 |
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73e6c58852
|
S^2 spin flip almost OK
|
2020-10-05 23:00:56 +02:00 |
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3d2ca7529f
|
spin flip for CIS and TDHF almost done
|
2020-10-05 16:58:19 +02:00 |
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|
|
563aff8286
|
dipole UHF OK
|
2020-10-04 12:40:44 +02:00 |
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|
|
5a3c224513
|
dipole RHF OK
|
2020-10-04 09:36:03 +02:00 |
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c15ea00351
|
CIS(D) sligntly faster
|
2020-10-02 13:42:21 +02:00 |
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69a0b5193d
|
slow CIS(D) correction (in spinorbital basis)
|
2020-10-01 23:05:23 +02:00 |
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|
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ac66ae8ea2
|
corrected bug in spin flip
|
2020-09-30 15:02:48 +02:00 |
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680f4cb0e2
|
debugging sf
|
2020-09-30 09:59:18 +02:00 |
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2a498658b3
|
major modification for makefiles
|
2020-09-30 00:10:57 +02:00 |
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2ea01fd77e
|
scaling N-centered
|
2020-09-29 11:47:18 +02:00 |
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