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144b5904cb
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fix small bug
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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
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2021-02-14 22:24:52 +01:00 |
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96e3dfe5e0
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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
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2020-12-04 13:26:08 +01:00 |
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5b4dd9982c
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fix bug in pCC
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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
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ninja
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2020-10-13 13:44:24 +02:00 |
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9707f6829f
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GoDuck qcaml
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2020-10-12 13:06:41 +02:00 |
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85fd543d1b
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clean up pCCD
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2020-10-08 17:19:48 +02:00 |
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1abe13c86d
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Done with UACFDT
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2020-10-07 22:51:30 +02:00 |
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3433e3f99e
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sf-BSE
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2020-10-06 14:24:54 +02:00 |
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73e6c58852
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S^2 spin flip almost OK
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2020-10-05 23:00:56 +02:00 |
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3d2ca7529f
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spin flip for CIS and TDHF almost done
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2020-10-05 16:58:19 +02:00 |
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563aff8286
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dipole UHF OK
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2020-10-04 12:40:44 +02:00 |
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5a3c224513
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dipole RHF OK
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2020-10-04 09:36:03 +02:00 |
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69a0b5193d
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slow CIS(D) correction (in spinorbital basis)
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2020-10-01 23:05:23 +02:00 |
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ac66ae8ea2
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corrected bug in spin flip
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2020-09-30 15:02:48 +02:00 |
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c78f891d3c
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dipole and f OK
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2020-09-28 22:58:58 +02:00 |
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0e9edb30d2
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oscillator strength and dipole integrals
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2020-09-28 21:25:25 +02:00 |
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435d44391d
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clean up unrestricted code for one electron
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2020-09-25 15:05:06 +02:00 |
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875b53b7d0
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evUGW
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2020-09-24 22:50:56 +02:00 |
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a611ee7442
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spin flip
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2020-09-24 16:39:15 +02:00 |
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ce10bbaf56
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URPA
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2020-09-23 09:46:44 +02:00 |
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2b7f31a340
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BSE and spin
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2020-09-22 23:46:33 +02:00 |
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b8bf488a9a
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spin conserved and spin flip
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2020-09-22 23:08:47 +02:00 |
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2a6f83dbf9
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UBSE
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2020-09-22 22:13:51 +02:00 |
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282cbcb517
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UG0W0 OK
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2020-09-22 15:32:26 +02:00 |
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11949b84bc
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update UGW
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2020-09-21 16:54:38 +02:00 |
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26cec28a31
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UMP2
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2020-09-18 13:52:35 +02:00 |
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2142a13bda
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update eDFT
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2020-09-15 10:40:51 +02:00 |
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4569e15744
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new options
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2020-06-16 14:02:14 +02:00 |
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9a2244bd9b
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more clean up
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2020-06-15 23:04:07 +02:00 |
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69e8bdd49c
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new options for dBSE
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2020-06-14 21:20:01 +02:00 |
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f7e90a9f99
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spin in W
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2020-06-14 13:04:16 +02:00 |
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b6bbeb3f3b
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fix bug in BSE triplet
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2020-06-09 21:24:37 +02:00 |
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769f4e9221
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(1)
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2020-06-05 22:34:32 +02:00 |
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4b3bb88b84
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clean up GF
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2020-06-03 12:06:16 +02:00 |
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96207d9c58
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problem minus sign solved
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2020-06-01 17:14:42 +02:00 |
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13b170fc2f
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star implementation of CISD
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2020-04-20 12:28:19 +02:00 |
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2b0244e010
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RS in GW
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2020-04-16 17:02:01 +02:00 |
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a0b8383971
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correct bug in evGW
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2020-04-15 09:34:41 +02:00 |
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cfc910fb26
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lr from Toto
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2020-04-14 15:59:34 +02:00 |
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2f835304f7
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evGT
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2020-04-13 14:19:14 +02:00 |
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b96ea676fd
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b4 removing soG0T0
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2020-04-13 11:33:48 +02:00 |
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