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mirror of https://github.com/pfloos/quack synced 2024-06-26 15:12:17 +02:00
Commit Graph

70 Commits

Author SHA1 Message Date
2a6f83dbf9 UBSE 2020-09-22 22:13:51 +02:00
282cbcb517 UG0W0 OK 2020-09-22 15:32:26 +02:00
11949b84bc update UGW 2020-09-21 16:54:38 +02:00
26cec28a31 UMP2 2020-09-18 13:52:35 +02:00
2142a13bda update eDFT 2020-09-15 10:40:51 +02:00
4569e15744 new options 2020-06-16 14:02:14 +02:00
9a2244bd9b more clean up 2020-06-15 23:04:07 +02:00
69e8bdd49c new options for dBSE 2020-06-14 21:20:01 +02:00
f7e90a9f99 spin in W 2020-06-14 13:04:16 +02:00
b6bbeb3f3b fix bug in BSE triplet 2020-06-09 21:24:37 +02:00
769f4e9221 (1) 2020-06-05 22:34:32 +02:00
4b3bb88b84 clean up GF 2020-06-03 12:06:16 +02:00
96207d9c58 problem minus sign solved 2020-06-01 17:14:42 +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
cfc910fb26 lr from Toto 2020-04-14 15:59:34 +02:00
2f835304f7 evGT 2020-04-13 14:19:14 +02:00
b96ea676fd b4 removing soG0T0 2020-04-13 11:33:48 +02:00
4983c8c16b core in CC 2020-03-26 16:57:46 +01:00
23e752f5d1 workin on numgrid 2020-03-25 09:48:58 +01:00
5ef788cbc9 pCCD and ppRPA 2020-03-24 12:28:56 +01:00
a8d26d6e36 numgrid test 2020-03-23 17:26:12 +01:00
a13ab94a52 FC in pCCD 2020-03-22 22:22:47 +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
0be0d5d8c3 revive eDFT code 2020-03-14 23:00:44 +01:00
fc73914faa graphical GW 2020-03-12 15:04:16 +01:00
63e6be3b2c BSE clean up 2020-03-11 16:41:20 +01:00
9e3c3f9c89 eta in linear response 2020-01-23 21:22:41 +01:00
76aa00962d nS 2020-01-22 09:20:18 +01:00
22d83c824f new files 2020-01-17 15:31:38 +01:00
847160ad09 basis 2020-01-17 13:57:03 +01:00
8dfd69db80 exchange kernel 2020-01-16 21:39:00 +01:00
c2ac210e4c create BSE standalone routine 2020-01-14 21:27:34 +01:00
d84cff37b2 rename TDHF and co 2020-01-14 19:53:52 +01:00
51016fd5c1 clean up + AC 2020-01-14 14:44:01 +01:00
c6ec8f91e9 RPA and ACRPA 2020-01-13 23:08:03 +01:00
1acf76b156 remove ERI copy in qsGW 2019-10-30 10:31:05 +01:00
72abe8a4f6 bug 2019-10-28 16:34:09 +01:00
877f78f1a5 T-matrix in spinorbitals 2019-10-22 23:03:01 +02:00
8e07edaae0 G0T0 bug and clean up 2019-10-18 23:16:37 +02:00
6e3abd8927 starting G0T0 2019-10-16 18:14:47 +02:00
0c6f1ee7d5 ppRPA done 2019-10-15 23:13:00 +02:00
f8a9321cf0 pp-RPA starting to be OK 2019-10-15 17:56:27 +02:00
a5047e9b1a T-matrix self-energy 2019-10-06 22:35:36 +02:00