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ab7cf0401e
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qsGF2
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2021-03-05 22:34:48 +01:00 |
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75ec2443c1
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stability analysis
|
2021-03-03 11:37:46 +01:00 |
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ede8862d67
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fix bug in T matrix
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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
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Vxc in GW
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2021-02-15 17:27:06 +01:00 |
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722d74ae17
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fix KS
|
2021-02-14 22:24:52 +01:00 |
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96e3dfe5e0
|
guess mix in eDFT
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2021-01-31 23:24:25 +01:00 |
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469475ef5f
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DCD
|
2020-12-04 13:26:08 +01:00 |
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5b4dd9982c
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fix bug in pCC
|
2020-11-05 15:51:33 +01:00 |
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fc4a062326
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mix guess for UHF
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2020-10-27 17:23:48 +01:00 |
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b75798078b
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qsUGW works
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2020-10-21 12:58:37 +02:00 |
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2e6662056c
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working on qsUGW
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2020-10-21 12:09:18 +02:00 |
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a5cf80f709
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FC for MP3
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2020-10-19 13:57:56 +02:00 |
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bad6a5a51f
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merge eDFT in QuAcK
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2020-10-14 09:44:03 +02:00 |
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cb2f4bc24b
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remove old dft grid
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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
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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
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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
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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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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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c78f891d3c
|
dipole and f OK
|
2020-09-28 22:58:58 +02:00 |
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0e9edb30d2
|
oscillator strength and dipole integrals
|
2020-09-28 21:25:25 +02:00 |
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435d44391d
|
clean up unrestricted code for one electron
|
2020-09-25 15:05:06 +02:00 |
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875b53b7d0
|
evUGW
|
2020-09-24 22:50:56 +02:00 |
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a611ee7442
|
spin flip
|
2020-09-24 16:39:15 +02:00 |
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ce10bbaf56
|
URPA
|
2020-09-23 09:46:44 +02:00 |
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2b7f31a340
|
BSE and spin
|
2020-09-22 23:46:33 +02:00 |
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b8bf488a9a
|
spin conserved and spin flip
|
2020-09-22 23:08:47 +02:00 |
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2a6f83dbf9
|
UBSE
|
2020-09-22 22:13:51 +02:00 |
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282cbcb517
|
UG0W0 OK
|
2020-09-22 15:32:26 +02:00 |
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11949b84bc
|
update UGW
|
2020-09-21 16:54:38 +02:00 |
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|
26cec28a31
|
UMP2
|
2020-09-18 13:52:35 +02:00 |
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2142a13bda
|
update eDFT
|
2020-09-15 10:40:51 +02:00 |
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4569e15744
|
new options
|
2020-06-16 14:02:14 +02:00 |
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9a2244bd9b
|
more clean up
|
2020-06-15 23:04:07 +02:00 |
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69e8bdd49c
|
new options for dBSE
|
2020-06-14 21:20:01 +02:00 |
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f7e90a9f99
|
spin in W
|
2020-06-14 13:04:16 +02:00 |
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|
b6bbeb3f3b
|
fix bug in BSE triplet
|
2020-06-09 21:24:37 +02:00 |
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|
769f4e9221
|
(1)
|
2020-06-05 22:34:32 +02:00 |
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|
4b3bb88b84
|
clean up GF
|
2020-06-03 12:06:16 +02:00 |
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|
96207d9c58
|
problem minus sign solved
|
2020-06-01 17:14:42 +02:00 |
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13b170fc2f
|
star implementation of CISD
|
2020-04-20 12:28:19 +02:00 |
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|
2b0244e010
|
RS in GW
|
2020-04-16 17:02:01 +02:00 |
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|
a0b8383971
|
correct bug in evGW
|
2020-04-15 09:34:41 +02:00 |
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