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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 |
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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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|
|
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 |
|
|
|
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 |
|
|
|
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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|
|
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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|
|
c6769b0f1c
|
dipole and f OK
|
2020-09-28 23:19:26 +02:00 |
|
|
|
c78f891d3c
|
dipole and f OK
|
2020-09-28 22:58:58 +02:00 |
|
|
|
28d85ed204
|
unrestricted f
|
2020-09-28 22:24:02 +02:00 |
|
|
|
0e9edb30d2
|
oscillator strength and dipole integrals
|
2020-09-28 21:25:25 +02:00 |
|
|
|
435d44391d
|
clean up unrestricted code for one electron
|
2020-09-25 15:05:06 +02:00 |
|
|
|
875b53b7d0
|
evUGW
|
2020-09-24 22:50:56 +02:00 |
|
|
|
a611ee7442
|
spin flip
|
2020-09-24 16:39:15 +02:00 |
|
|
|
ff58cd17c6
|
UCIS
|
2020-09-24 14:39:37 +02:00 |
|
|
|
8910ead99f
|
big cleaning
|
2020-09-24 11:56:06 +02:00 |
|
|
|
08f3567d20
|
sf-BSE
|
2020-09-23 22:48:54 +02:00 |
|
|
|
2b1b2096c4
|
graph sol for UGW
|
2020-09-23 14:23:40 +02:00 |
|
|
|
ce10bbaf56
|
URPA
|
2020-09-23 09:46:44 +02:00 |
|
|
|
2b7f31a340
|
BSE and spin
|
2020-09-22 23:46:33 +02:00 |
|
|
|
b8bf488a9a
|
spin conserved and spin flip
|
2020-09-22 23:08:47 +02:00 |
|
|
|
8f5b1779de
|
UBSE
|
2020-09-22 22:14:08 +02:00 |
|
|
|
2a6f83dbf9
|
UBSE
|
2020-09-22 22:13:51 +02:00 |
|
