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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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ff58cd17c6
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UCIS
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2020-09-24 14:39:37 +02:00 |
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8910ead99f
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big cleaning
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2020-09-24 11:56:06 +02:00 |
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2b1b2096c4
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graph sol for UGW
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2020-09-23 14:23:40 +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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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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a61fd351f9
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fix option mismatch
|
2020-06-17 22:10:08 +02:00 |
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9bde47178d
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BSE2
|
2020-06-16 23:40:21 +02:00 |
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fdaf483399
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fix bug
|
2020-06-06 21:34:39 +02:00 |
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d473dd79fa
|
BSE2
|
2020-06-06 08:48:04 +02:00 |
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769f4e9221
|
(1)
|
2020-06-05 22:34:32 +02:00 |
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986caedeac
|
clean dBSE code
|
2020-06-04 22:40:14 +02:00 |
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e4ce9dd9ba
|
stop
|
2020-06-03 12:46:26 +02:00 |
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8fd57515cc
|
bug fix evGF2
|
2020-06-03 12:24:38 +02:00 |
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4b3bb88b84
|
clean up GF
|
2020-06-03 12:06:16 +02:00 |
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29294ef5a4
|
BSE almost done
|
2020-06-01 22:01:21 +02:00 |
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b72a23fc98
|
BSE2
|
2020-06-01 17:30:02 +02:00 |
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96207d9c58
|
problem minus sign solved
|
2020-06-01 17:14:42 +02:00 |
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a02bebdd88
|
iterative dynamic correction for BSE
|
2020-05-21 16:13:52 +02:00 |
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0c6153de3f
|
beyond TDA for dynamic BSE
|
2020-05-20 16:46:07 +02:00 |
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61832f1259
|
GW gap warning and antiresonnant term
|
2020-05-15 13:08:07 +02:00 |
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431eab634d
|
saving eDFT
|
2020-05-05 16:45:10 +02:00 |
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54a938a909
|
switch to eDFT
|
2020-04-26 16:07:45 +02:00 |
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a2c2eb32b5
|
dynamic correction
|
2020-04-22 00:39:52 +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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b5e4ded668
|
cleaning ppRPA
|
2020-04-15 08:53:02 +02:00 |
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5441aa845a
|
bug print
|
2020-04-13 23:05:19 +02:00 |
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|
8433bf9281
|
bug print
|
2020-04-13 22:56:49 +02:00 |
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|
57003acb75
|
faster orthogonalization in ppRPA
|
2020-04-13 20:13:38 +02:00 |
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|
2f835304f7
|
evGT
|
2020-04-13 14:19:14 +02:00 |
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|
7763d7d1a0
|
makefile
|
2020-03-27 09:04:56 +01:00 |
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|
4983c8c16b
|
core in CC
|
2020-03-26 16:57:46 +01:00 |
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|
23e752f5d1
|
workin on numgrid
|
2020-03-25 09:48:58 +01:00 |
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|
08a4d4e4e9
|
spinorbital G0T0 OK
|
2020-03-24 14:55:22 +01:00 |
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|
5ef788cbc9
|
pCCD and ppRPA
|
2020-03-24 12:28:56 +01:00 |
|
|
|
a8d26d6e36
|
numgrid test
|
2020-03-23 17:26:12 +01:00 |
|
|
|
002e653cbb
|
fix bug in eDFT
|
2020-03-23 08:53:19 +01:00 |
|
|
|
6a0bf1f8ce
|
DIIS in CCD
|
2020-03-22 23:01:36 +01:00 |
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|
|
f43cf3f4e4
|
debug pCCD
|
2020-03-22 15:20:42 +01:00 |
|
|
|
eee1a1c6b4
|
CCD variants
|
2020-03-21 22:50:43 +01:00 |
|
|
|
a985f27142
|
BSE in ppRPA
|
2020-03-21 21:09:48 +01:00 |
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|
|
941ab79dc1
|
numgrid
|
2020-03-21 16:31:39 +01:00 |
|
|
|
5f75ec478b
|
GF clean up
|
2020-03-19 10:33:56 +01:00 |
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|
bcbeba2a7c
|
GF clean up
|
2020-03-19 10:21:18 +01:00 |
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|
d0020765fc
|
moved Cx in parameters
|
2020-03-18 16:06:29 +01:00 |
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