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mirror of https://github.com/pfloos/quack synced 2024-11-19 12:32:36 +01:00
Commit Graph

65 Commits

Author SHA1 Message Date
54a938a909 switch to eDFT 2020-04-26 16:07:45 +02:00
2b44f1b294 more examples 2020-04-23 23:14:14 +02:00
01e9f785c2 dynamic screening in BSE 2020-04-23 23:13:15 +02:00
88c13a8ec9 more examples 2020-04-16 17:02:57 +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
b96ea676fd b4 removing soG0T0 2020-04-13 11:33:48 +02:00
4587d3ff5c update stretched H2 2020-04-09 14:31:50 +02:00
438a36a82c lda centered 2020-03-29 18:34:09 +02:00
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
a13ab94a52 FC in pCCD 2020-03-22 22:22:47 +01:00
a3eef79eed more examples 2020-03-21 21:14:07 +01:00
a985f27142 BSE in ppRPA 2020-03-21 21:09:48 +01:00
941ab79dc1 numgrid 2020-03-21 16:31:39 +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
862b34099a more examples 2020-03-17 21:34:59 +01:00
444a9f7bf1 RVWN5 2020-03-15 20:33:18 +01:00
f8bdfb1ceb R and U density matrices 2020-03-15 14:33:53 +01:00
0be0d5d8c3 revive eDFT code 2020-03-14 23:00:44 +01:00
6b7ebf8158 clean up ACFDT 2020-03-13 10:25:20 +01:00
150b669953 check BSE 2020-03-13 09:49:08 +01:00
24a6cfab90 moar clean up 2020-03-13 09:18:18 +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
c71ccda4df experimenting with QP_roots 2020-02-12 21:44:35 +01:00
b09cff2ff7 QP solutions 2020-02-12 12:25:24 +01:00
af17fb153f RPAx 2020-01-28 09:00:11 +01:00
395da84680 clean up 2020-01-25 15:49:09 +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
31a159f47a examples 2020-01-17 17:35:40 +01:00
22d83c824f new files 2020-01-17 15:31:38 +01:00
1d9eb104a6 clean up 2020-01-17 13:45:02 +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
3246143355 Ec AC 2020-01-08 10:17:19 +01:00
72abe8a4f6 bug 2019-10-28 16:34:09 +01:00
8e07edaae0 G0T0 bug and clean up 2019-10-18 23:16:37 +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
bf1f8ba2ca new examples 2019-10-06 22:37:51 +02:00
6ca04d4b44 pp-RPA 2019-10-06 20:08:38 +02:00
923d1a8bd6 pp-RPA 2019-10-05 23:09:20 +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
d9efdc53bf stupid big in qsGW BSE 2019-09-26 21:36:46 +02:00