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909777c458
|
rename routine in HF
|
2022-01-07 09:56:30 +01:00 |
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d51f99671d
|
problem with rcond in DIIS fixed
|
2022-01-06 22:36:30 +01:00 |
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3d4ef5bece
|
fix bug in GF
|
2022-01-06 21:41:12 +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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203ce9541c
|
regularized GW
|
2021-12-17 11:41:40 +01:00 |
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fcf46af600
|
modif QuAcK for ppURPA
|
2021-12-13 14:30:49 +01:00 |
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c379b80eac
|
ACFDT for ppRPA
|
2021-11-18 13:34:08 +01:00 |
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23d7d83091
|
working on ACFDT for T-matrix
|
2021-11-10 22:41:40 +01:00 |
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3dfc2c3526
|
crossed ring CC and RPA working
|
2021-11-10 14:47:26 +01:00 |
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cec0fe9205
|
working on RPA third channel
|
2021-11-10 09:42:30 +01:00 |
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95ae0073ee
|
properly included SOSEX (still probably bugged)
|
2021-10-26 18:45:49 +02:00 |
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494204113b
|
new version of SOSEX (need serious debugging)
|
2021-10-22 21:10:31 +02:00 |
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7fd40afee5
|
ufBSE
|
2021-10-19 18:07:44 +02:00 |
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22aeccb222
|
TDA in pp-RPA and GT
|
2021-10-18 22:05:26 +02:00 |
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|
27181b85e4
|
adding ufGW to methods
|
2021-10-18 21:11:01 +02:00 |
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58044a8a89
|
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
|
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 |
|
|
|
75ec2443c1
|
stability analysis
|
2021-03-03 11:37:46 +01:00 |
|
|
|
ede8862d67
|
fix bug in T matrix
|
2021-02-16 10:00:01 +01:00 |
|
|
|
144b5904cb
|
fix small bug
|
2021-02-15 21:44:24 +01:00 |
|
|
|
0f28af6d50
|
Vxc in GW
|
2021-02-15 17:27:06 +01:00 |
|
|
|
722d74ae17
|
fix KS
|
2021-02-14 22:24:52 +01:00 |
|
|
|
96e3dfe5e0
|
guess mix in eDFT
|
2021-01-31 23:24:25 +01:00 |
|
|
|
469475ef5f
|
DCD
|
2020-12-04 13:26:08 +01:00 |
|
|
|
5b4dd9982c
|
fix bug in pCC
|
2020-11-05 15:51:33 +01:00 |
|
|
|
fc4a062326
|
mix guess for UHF
|
2020-10-27 17:23:48 +01:00 |
|
|
|
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 |
|
|
|
a5cf80f709
|
FC for MP3
|
2020-10-19 13:57:56 +02:00 |
|
|
|
bad6a5a51f
|
merge eDFT in QuAcK
|
2020-10-14 09:44:03 +02:00 |
|
|
|
cb2f4bc24b
|
remove old dft grid
|
2020-10-14 09:27:42 +02:00 |
|
|
|
a5bd9c218b
|
ninja
|
2020-10-13 13:44:24 +02:00 |
|
|
|
9707f6829f
|
GoDuck qcaml
|
2020-10-12 13:06:41 +02:00 |
|
|
|
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 |
|
|
|
3433e3f99e
|
sf-BSE
|
2020-10-06 14:24:54 +02:00 |
|
|
|
73e6c58852
|
S^2 spin flip almost OK
|
2020-10-05 23:00:56 +02:00 |
|
|
|
3d2ca7529f
|
spin flip for CIS and TDHF almost done
|
2020-10-05 16:58:19 +02:00 |
|
|
|
563aff8286
|
dipole UHF OK
|
2020-10-04 12:40:44 +02:00 |
|
|
|
5a3c224513
|
dipole RHF OK
|
2020-10-04 09:36:03 +02:00 |
|
|
|
c15ea00351
|
CIS(D) sligntly faster
|
2020-10-02 13:42:21 +02:00 |
|
|
|
69a0b5193d
|
slow CIS(D) correction (in spinorbital basis)
|
2020-10-01 23:05:23 +02:00 |
|
|
|
ac66ae8ea2
|
corrected bug in spin flip
|
2020-09-30 15:02:48 +02:00 |
|
|
|
680f4cb0e2
|
debugging sf
|
2020-09-30 09:59:18 +02:00 |
|
