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mirror of https://github.com/pfloos/quack synced 2024-12-23 12:56:38 +01:00
Commit Graph

70 Commits

Author SHA1 Message Date
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
c8855d8aed more clean up 2020-03-11 17:55:42 +01:00
63e6be3b2c BSE clean up 2020-03-11 16:41:20 +01:00
08d97376f2 ppRPA orlando orthogonalization 2020-03-07 08:58:50 +01:00
b09cff2ff7 QP solutions 2020-02-12 12:25:24 +01:00
e01a34d6ba RPAx AC vs Tr 2020-01-16 23:13:47 +01:00
8dfd69db80 exchange kernel 2020-01-16 21:39:00 +01:00
4607acc649 clean up 2020-01-15 22:29:43 +01:00
4f37593b5e bug fix 2020-01-15 09:52:37 +01:00
43a4ed34c2 looking for a bug 2020-01-14 22:56:20 +01:00
c2ac210e4c create BSE standalone routine 2020-01-14 21:27:34 +01:00
3ebcd29b19 GW AC 2020-01-14 16:36:11 +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
3246143355 Ec AC 2020-01-08 10:17:19 +01:00
72abe8a4f6 bug 2019-10-28 16:34:09 +01:00
fb4251e419 COHSEX done and debugged 2019-10-24 08:07:31 +02:00
8c2b2f5e86 spinorb Tmatrix 2019-10-23 08:22:36 +02:00
877f78f1a5 T-matrix in spinorbitals 2019-10-22 23:03:01 +02:00
6ca20e2ea3 T matrix *might* be working 2019-10-17 22:07:41 +02:00
6e3abd8927 starting G0T0 2019-10-16 18:14:47 +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
9926f50ef4 new keyword for ppRPA 2019-10-05 23:32:17 +02:00
883a07db16 huckel guess and ppRPA 2019-10-05 22:06:25 +02:00
55f7bffd76 fix bug in evGW for BSE Ec 2019-10-01 14:53:36 +02:00
bf43db038e done 2019-09-26 22:46:32 +02:00
5871d6fad3 stupid big in qsGW BSE 2019-09-26 21:43:06 +02:00
d9efdc53bf stupid big in qsGW BSE 2019-09-26 21:36:46 +02:00
bc834c0466 scan diatomics 2019-09-23 18:36:55 +02:00
ff82232fe5 fix bug in printing qsGW energy after BSE 2019-09-23 13:31:01 +02:00
8dbd12ecac eta parameter 2019-09-22 21:15:53 +02:00
153fe069aa qsGW fix bug 2019-09-21 08:53:29 +02:00
c477b848ac basis correction 2019-07-09 16:17:10 +02:00
b18613c763 TDHF Ec 2019-05-23 09:53:23 +02:00
bfe2f78b66 add lib directory 2019-05-08 09:10:46 +02:00
b05d50eaa6 correcting bug in MOM 2019-05-08 09:06:14 +02:00
bd44ad4ffb correcting bug in read_integrals 2019-05-08 08:59:26 +02:00
ce7d0118ab sph ready 2019-05-07 22:55:36 +02:00
f345b8e2be BSE Ec 2019-05-04 17:13:50 +02:00
634e0ecf09 fix bug in GF3 2019-04-29 09:54:36 +02:00