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e3b7f70025
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removed restricted routines
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2021-11-30 09:30:09 +01:00 |
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9078568db5
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add hartree energy and potential
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2021-11-30 09:29:50 +01:00 |
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329209cf9c
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commit before removing restricted obselete routines
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2021-11-30 09:29:23 +01:00 |
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bd8e827c1c
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individual energies seems to work
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2021-11-29 23:33:35 +01:00 |
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b9cf1fe6d5
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individual energies seems to work
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2021-11-29 23:32:49 +01:00 |
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851ac5eb46
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removing aCC_w
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2021-11-29 13:21:45 +01:00 |
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ed05965399
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commit b4 indiv energy
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2021-11-29 13:11:01 +01:00 |
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Clotilde Marut
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73f1ffaad3
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CC functional
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2021-11-25 17:45:48 +01:00 |
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Clotilde Marut
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83a4e2f68b
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Merge branch 'master' of https://github.com/pfloos/QuAcK
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2021-11-24 14:09:29 +01:00 |
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e3f00248ee
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fix bug for Ncentered
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2021-11-24 14:09:12 +01:00 |
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Clotilde Marut
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f2021412fb
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Merge branch 'master' of https://github.com/pfloos/QuAcK
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2021-11-24 13:06:49 +01:00 |
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1f0d426570
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fixing bug in memory allocation
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2021-11-24 13:06:46 +01:00 |
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Clotilde Marut
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de622d7e0e
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resolving pull issue
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2021-11-24 13:05:14 +01:00 |
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b0413b1d13
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clean up CC-S51 functional
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2021-11-24 11:53:25 +01:00 |
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aadf942f83
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curvature corrected functional revisited
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2021-11-24 10:25:48 +01:00 |
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Clotilde Marut
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363bc11fa8
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debugging ind energy for VWN
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2021-11-23 09:17:13 +01:00 |
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Clotilde Marut
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210e4b5e7c
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Merge branch 'master' of https://github.com/pfloos/QuAcK
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2021-11-22 22:55:10 +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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6f886a61a6
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crossed ring ACFDT
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2021-11-10 22:53:50 +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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Clotilde Marut
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f8b7cc125d
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Merge branch 'master' of https://github.com/pfloos/QuAcK
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2021-11-10 09:48:53 +01:00 |
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Clotilde Marut
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d2182e22d7
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commit for clotilde weight-dependent functionals
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2021-11-10 09:48:33 +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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e13c9866fb
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fix bug in T matrix
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2021-11-08 16:45:29 +01:00 |
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388db3ca6e
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HF individual energy working
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2021-11-08 09:55:39 +01:00 |
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ac5955ab27
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fix print in CCSD
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2021-11-06 14:36:54 +01:00 |
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52c224416f
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fix problem with threshold
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2021-11-02 11:07:34 +01:00 |
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f95e0d4dfc
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forgot initialization
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2021-11-02 10:57:41 +01:00 |
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dc2f8b054c
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fix bug in individual energies for VWN
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2021-11-01 21:51:02 +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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954a33d07f
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fix bug
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2021-10-26 11:42:50 +02:00 |
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20281b2c8d
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4-state eDFT
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2021-10-25 12:20:25 +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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c4ac7f69e6
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safer but slower orthogonalization in pp-RPA
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2021-10-21 22:40:20 +02:00 |
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52a7e632c4
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fix form of the dynamical T-matrix
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2021-10-20 23:19:27 +02:00 |
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7fd40afee5
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ufBSE
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2021-10-19 18:07:44 +02:00 |
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87d4c8ac9a
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fixing bug in BSE@GT
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2021-10-19 14:09:33 +02:00 |
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871e657d08
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AC@BSE@GT
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2021-10-18 23:12:43 +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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6f11f0909f
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clean up pp-RPA
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2021-10-18 21:41:03 +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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75b35bf3dd
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adding Z in ufGW
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2021-10-18 15:05:01 +02:00 |
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58044a8a89
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OK for ufGW
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2021-10-18 14:14:46 +02:00 |
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d038594640
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ufGW
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2021-10-18 10:10:54 +02:00 |
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90a3570323
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evGT
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2021-10-17 23:04:22 +02:00 |
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cb67629aed
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dBSE@GT
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2021-10-17 12:49:40 +02:00 |
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0ec1dc47de
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dBSE@GT
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2021-10-17 12:46:47 +02:00 |
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35d31cf705
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dBSE@GT
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2021-10-17 10:06:57 +02:00 |
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af73b5bfdb
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saving debug
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2021-10-17 08:47:51 +02:00 |
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