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mirror of https://github.com/pfloos/quack synced 2024-12-23 21:04:00 +01:00
Commit Graph

110 Commits

Author SHA1 Message Date
ff58cd17c6 UCIS 2020-09-24 14:39:37 +02:00
8910ead99f big cleaning 2020-09-24 11:56:06 +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
11949b84bc update UGW 2020-09-21 16:54:38 +02:00
26cec28a31 UMP2 2020-09-18 13:52:35 +02:00
a61fd351f9 fix option mismatch 2020-06-17 22:10:08 +02:00
9bde47178d BSE2 2020-06-16 23:40:21 +02:00
fdaf483399 fix bug 2020-06-06 21:34:39 +02:00
d473dd79fa BSE2 2020-06-06 08:48:04 +02:00
769f4e9221 (1) 2020-06-05 22:34:32 +02:00
986caedeac clean dBSE code 2020-06-04 22:40:14 +02:00
e4ce9dd9ba stop 2020-06-03 12:46:26 +02:00
8fd57515cc bug fix evGF2 2020-06-03 12:24:38 +02:00
4b3bb88b84 clean up GF 2020-06-03 12:06:16 +02:00
29294ef5a4 BSE almost done 2020-06-01 22:01:21 +02:00
b72a23fc98 BSE2 2020-06-01 17:30:02 +02:00
96207d9c58 problem minus sign solved 2020-06-01 17:14:42 +02:00
a02bebdd88 iterative dynamic correction for BSE 2020-05-21 16:13:52 +02:00
0c6153de3f beyond TDA for dynamic BSE 2020-05-20 16:46:07 +02:00
61832f1259 GW gap warning and antiresonnant term 2020-05-15 13:08:07 +02:00
431eab634d saving eDFT 2020-05-05 16:45:10 +02:00
54a938a909 switch to eDFT 2020-04-26 16:07:45 +02:00
a2c2eb32b5 dynamic correction 2020-04-22 00:39:52 +02:00
13b170fc2f star implementation of CISD 2020-04-20 12:28:19 +02:00
2b0244e010 RS in GW 2020-04-16 17:02:01 +02:00
a0b8383971 correct bug in evGW 2020-04-15 09:34:41 +02:00
b5e4ded668 cleaning ppRPA 2020-04-15 08:53:02 +02:00
5441aa845a bug print 2020-04-13 23:05:19 +02:00
8433bf9281 bug print 2020-04-13 22:56:49 +02:00
57003acb75 faster orthogonalization in ppRPA 2020-04-13 20:13:38 +02:00
2f835304f7 evGT 2020-04-13 14:19:14 +02:00
7763d7d1a0 makefile 2020-03-27 09:04:56 +01:00
4983c8c16b core in CC 2020-03-26 16:57:46 +01:00
23e752f5d1 workin on numgrid 2020-03-25 09:48:58 +01:00
08a4d4e4e9 spinorbital G0T0 OK 2020-03-24 14:55:22 +01:00
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
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
941ab79dc1 numgrid 2020-03-21 16:31:39 +01:00
5f75ec478b GF clean up 2020-03-19 10:33:56 +01:00
bcbeba2a7c GF clean up 2020-03-19 10:21:18 +01:00
d0020765fc moved Cx in parameters 2020-03-18 16:06:29 +01:00
0be0d5d8c3 revive eDFT code 2020-03-14 23:00:44 +01:00
24a6cfab90 moar clean up 2020-03-13 09:18:18 +01:00
fc73914faa graphical GW 2020-03-12 15:04:16 +01:00